N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C19H22N6O — CID 139360665

IUPACN-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2n[nH]c3c2CCC3)c1
InChIInChI=1S/C19H22N6O/c1-12(9-17-23-20-11-25(17)2)13-5-3-6-14(10-13)21-19(26)18-15-7-4-8-16(15)22-24-18/h3,5-6,10-12H,4,7-9H2,1-2H3,(H,21,26)(H,22,24)/t12-/m1/s1
InChIKeyVFKGEYIDJJMNIG-GFCCVEGCSA-N
MW350.43 g/mol
LogP2.63
Rot. Bonds5

About N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 139360665) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID139360665
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESC[C@H](Cc1nncn1C)c1cccc(NC(=O)c2n[nH]c3c2CCC3)c1
InChIInChI=1S/C19H22N6O/c1-12(9-17-23-20-11-25(17)2)13-5-3-6-14(10-13)21-19(26)18-15-7-4-8-16(15)22-24-18/h3,5-6,10-12H,4,7-9H2,1-2H3,(H,21,26)(H,22,24)/t12-/m1/s1
InChIKeyVFKGEYIDJJMNIG-GFCCVEGCSA-N
XLogP2.63
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 139360665) is N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is C[C@H](Cc1nncn1C)c1cccc(NC(=O)c2n[nH]c3c2CCC3)c1.
What is the InChIKey of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is VFKGEYIDJJMNIG-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12(9-17-23-20-11-25(17)2)13-5-3-6-14(10-13)21-19(26)18-15-7-4-8-16(15)22-24-18/h3,5-6,10-12H,4,7-9H2,1-2H3,(H,21,26)(H,22,24)/t12-/m1/s1.
What are the key properties of N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 139360665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).