(3aR,4S,6aS)-N-(1H-pyrazol-5-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

C17H20F3N5 — CID 54673199

IUPAC(3aR,4S,6aS)-N-(1H-pyrazol-5-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESFC(F)(F)c1cccc(N2C[C@H]3CC[C@H](NCc4ccn[nH]4)[C@H]3C2)n1
InChIInChI=1S/C17H20F3N5/c18-17(19,20)15-2-1-3-16(23-15)25-9-11-4-5-14(13(11)10-25)21-8-12-6-7-22-24-12/h1-3,6-7,11,13-14,21H,4-5,8-10H2,(H,22,24)/t11-,13+,14+/m1/s1
InChIKeyBNJWTVBOPCGFRO-XBFCOCLRSA-N
MW351.38 g/mol
LogP2.83
Rot. Bonds4

About (3aR,4S,6aS)-N-(1H-pyrazol-5-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

(3aR,4S,6aS)-N-(1H-pyrazol-5-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (PubChem CID 54673199) has the molecular formula C17H20F3N5 and a molecular weight of 351.38 g/mol. Its IUPAC name is (3aR,4S,6aS)-N-(1H-pyrazol-5-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.

Molecular Properties

Compound Name(3aR,4S,6aS)-N-(1H-pyrazol-5-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
PubChem CID54673199
Molecular FormulaC17H20F3N5
Molecular Weight351.38 g/mol
Exact Mass351.17
IUPAC Name(3aR,4S,6aS)-N-(1H-pyrazol-5-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESFC(F)(F)c1cccc(N2C[C@H]3CC[C@H](NCc4ccn[nH]4)[C@H]3C2)n1
InChIInChI=1S/C17H20F3N5/c18-17(19,20)15-2-1-3-16(23-15)25-9-11-4-5-14(13(11)10-25)21-8-12-6-7-22-24-12/h1-3,6-7,11,13-14,21H,4-5,8-10H2,(H,22,24)/t11-,13+,14+/m1/s1
InChIKeyBNJWTVBOPCGFRO-XBFCOCLRSA-N
XLogP2.83
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aR,4S,6aS)-N-(1H-pyrazol-5-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine with MolForge

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Related Compounds

(3aR,4S,6aS)-N-(1H-pyrazol-4-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 66996585
(3aR,4S,6aS)-N-[(4-methylphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 66996534
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 77247633
(3aR,4S,6aS)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 66997478
(2S)-N-[(3aR,4S,6aS)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3,3,3-trifluoro-2-hydroxypropanamide
CID 87229653
(2S)-N-[(3aR,4S,6aS)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-2-(methylamino)hexanamide
CID 66997411
[(2S)-1-[[(3aR,4S,6aS)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-tert-butylcarbamic acid
CID 66590617
(3aR,4S,6aS)-4-(4-phenylimidazol-1-yl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 54675119
(2S,4S)-1-[(3aR,4S,6aS)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-fluoropyrrolidine-2-carboxamide
CID 66997546
(3aR,4S,5S,6aS)-5-imidazol-1-yl-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 54672903
2-cyclohexyl-N-(1H-pyrazol-5-ylmethyl)cyclohexan-1-amine
CID 61284102
2-(1H-pyrazol-5-ylmethylamino)cyclopentan-1-ol
CID 115641893

Frequently Asked Questions

What is the IUPAC name of (3aR,4S,6aS)-N-(1H-pyrazol-5-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The IUPAC name of (3aR,4S,6aS)-N-(1H-pyrazol-5-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (CID 54673199) is (3aR,4S,6aS)-N-(1H-pyrazol-5-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.
What is the SMILES notation for (3aR,4S,6aS)-N-(1H-pyrazol-5-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The canonical SMILES for (3aR,4S,6aS)-N-(1H-pyrazol-5-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is FC(F)(F)c1cccc(N2C[C@H]3CC[C@H](NCc4ccn[nH]4)[C@H]3C2)n1.
What is the InChIKey of (3aR,4S,6aS)-N-(1H-pyrazol-5-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The InChIKey is BNJWTVBOPCGFRO-XBFCOCLRSA-N. The full InChI is InChI=1S/C17H20F3N5/c18-17(19,20)15-2-1-3-16(23-15)25-9-11-4-5-14(13(11)10-25)21-8-12-6-7-22-24-12/h1-3,6-7,11,13-14,21H,4-5,8-10H2,(H,22,24)/t11-,13+,14+/m1/s1.
What are the key properties of (3aR,4S,6aS)-N-(1H-pyrazol-5-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
(3aR,4S,6aS)-N-(1H-pyrazol-5-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine has a molecular weight of 351.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,6aS)-N-(1H-pyrazol-5-ylmethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is sourced from PubChem (CID 54673199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).