1-(difluoromethyl)-N-[2-[(1S,2S)-2-methylcyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrazole-4-carboxamide

C17H22F2N4O2 — CID 154856105

IUPAC1-(difluoromethyl)-N-[2-[(1S,2S)-2-methylcyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrazole-4-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)N1CC2CC(NC(=O)c3cnn(C(F)F)c3)CC2C1
InChIInChI=1S/C17H22F2N4O2/c1-9-2-14(9)16(25)22-6-10-3-13(4-11(10)7-22)21-15(24)12-5-20-23(8-12)17(18)19/h5,8-11,13-14,17H,2-4,6-7H2,1H3,(H,21,24)/t9-,10?,11?,13?,14-/m0/s1
InChIKeyKNDQVZMFYGWZPN-NZYXAWPISA-N
MW352.39 g/mol
LogP1.90
Rot. Bonds4

About 1-(difluoromethyl)-N-[2-[(1S,2S)-2-methylcyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrazole-4-carboxamide

1-(difluoromethyl)-N-[2-[(1S,2S)-2-methylcyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrazole-4-carboxamide (PubChem CID 154856105) has the molecular formula C17H22F2N4O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[2-[(1S,2S)-2-methylcyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[2-[(1S,2S)-2-methylcyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrazole-4-carboxamide
PubChem CID154856105
Molecular FormulaC17H22F2N4O2
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name1-(difluoromethyl)-N-[2-[(1S,2S)-2-methylcyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrazole-4-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)N1CC2CC(NC(=O)c3cnn(C(F)F)c3)CC2C1
InChIInChI=1S/C17H22F2N4O2/c1-9-2-14(9)16(25)22-6-10-3-13(4-11(10)7-22)21-15(24)12-5-20-23(8-12)17(18)19/h5,8-11,13-14,17H,2-4,6-7H2,1H3,(H,21,24)/t9-,10?,11?,13?,14-/m0/s1
InChIKeyKNDQVZMFYGWZPN-NZYXAWPISA-N
XLogP1.90
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(difluoromethyl)-N-[2-[(1S,2S)-2-methylcyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[2-[(1S,2S)-2-methylcyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[2-[(1S,2S)-2-methylcyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrazole-4-carboxamide (CID 154856105) is 1-(difluoromethyl)-N-[2-[(1S,2S)-2-methylcyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[2-[(1S,2S)-2-methylcyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[2-[(1S,2S)-2-methylcyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrazole-4-carboxamide is C[C@H]1C[C@@H]1C(=O)N1CC2CC(NC(=O)c3cnn(C(F)F)c3)CC2C1.
What is the InChIKey of 1-(difluoromethyl)-N-[2-[(1S,2S)-2-methylcyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrazole-4-carboxamide?
The InChIKey is KNDQVZMFYGWZPN-NZYXAWPISA-N. The full InChI is InChI=1S/C17H22F2N4O2/c1-9-2-14(9)16(25)22-6-10-3-13(4-11(10)7-22)21-15(24)12-5-20-23(8-12)17(18)19/h5,8-11,13-14,17H,2-4,6-7H2,1H3,(H,21,24)/t9-,10?,11?,13?,14-/m0/s1.
What are the key properties of 1-(difluoromethyl)-N-[2-[(1S,2S)-2-methylcyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrazole-4-carboxamide?
1-(difluoromethyl)-N-[2-[(1S,2S)-2-methylcyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrazole-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[2-[(1S,2S)-2-methylcyclopropanecarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 154856105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).