(3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

C15H22F3N5O — CID 97333918

IUPAC(3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccn(CC(F)(F)F)n1)N1CC[C@H](CN2CCCC2)C1
InChIInChI=1S/C15H22F3N5O/c16-15(17,18)11-23-8-4-13(20-23)19-14(24)22-7-3-12(10-22)9-21-5-1-2-6-21/h4,8,12H,1-3,5-7,9-11H2,(H,19,20,24)/t12-/m1/s1
InChIKeyUECFNLDROWGGDZ-GFCCVEGCSA-N
MW345.37 g/mol
LogP2.39
Rot. Bonds4

About (3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

(3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 97333918) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is (3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID97333918
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC Name(3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccn(CC(F)(F)F)n1)N1CC[C@H](CN2CCCC2)C1
InChIInChI=1S/C15H22F3N5O/c16-15(17,18)11-23-8-4-13(20-23)19-14(24)22-7-3-12(10-22)9-21-5-1-2-6-21/h4,8,12H,1-3,5-7,9-11H2,(H,19,20,24)/t12-/m1/s1
InChIKeyUECFNLDROWGGDZ-GFCCVEGCSA-N
XLogP2.39
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrrolidin-1-yl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 136516743
(3aR,6aS)-2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 136585572
3-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]piperazine-1-carboxamide
CID 139013293
N-(4-acetamidophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 86800649
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
N-(3,4-difluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127673
(3S)-N-(6-ethoxy-2-pyridinyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 97308613
N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 75442945
(3S)-3-(piperidin-1-ylmethyl)-N-(thiadiazol-5-yl)pyrrolidine-1-carboxamide
CID 99836083
(3R)-N-(1-methylindol-6-yl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99820655
3-methyl-N-(1-methylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 75435678
(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99826576

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide (CID 97333918) is (3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide is O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[C@H](CN2CCCC2)C1.
What is the InChIKey of (3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is UECFNLDROWGGDZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22F3N5O/c16-15(17,18)11-23-8-4-13(20-23)19-14(24)22-7-3-12(10-22)9-21-5-1-2-6-21/h4,8,12H,1-3,5-7,9-11H2,(H,19,20,24)/t12-/m1/s1.
What are the key properties of (3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
(3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(pyrrolidin-1-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97333918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).