N-(3-chlorophenyl)-3-(1,1-difluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C17H19ClF2N4O — CID 121435467

IUPACN-(3-chlorophenyl)-3-(1,1-difluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCCC(F)(F)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C17H19ClF2N4O/c1-2-7-17(19,20)15-13-10-24(8-6-14(13)22-23-15)16(25)21-12-5-3-4-11(18)9-12/h3-5,9H,2,6-8,10H2,1H3,(H,21,25)(H,22,23)
InChIKeyLMZPGRPIAHTGOK-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.55
Rot. Bonds4

About N-(3-chlorophenyl)-3-(1,1-difluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(3-chlorophenyl)-3-(1,1-difluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121435467) has the molecular formula C17H19ClF2N4O and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(1,1-difluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(1,1-difluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121435467
Molecular FormulaC17H19ClF2N4O
Molecular Weight368.82 g/mol
Exact Mass368.12
IUPAC NameN-(3-chlorophenyl)-3-(1,1-difluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCCC(F)(F)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C17H19ClF2N4O/c1-2-7-17(19,20)15-13-10-24(8-6-14(13)22-23-15)16(25)21-12-5-3-4-11(18)9-12/h3-5,9H,2,6-8,10H2,1H3,(H,21,25)(H,22,23)
InChIKeyLMZPGRPIAHTGOK-UHFFFAOYSA-N
XLogP4.55
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(1,1-difluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-(1,1-difluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121435467) is N-(3-chlorophenyl)-3-(1,1-difluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(1,1-difluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(1,1-difluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is CCCC(F)(F)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.
What is the InChIKey of N-(3-chlorophenyl)-3-(1,1-difluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is LMZPGRPIAHTGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF2N4O/c1-2-7-17(19,20)15-13-10-24(8-6-14(13)22-23-15)16(25)21-12-5-3-4-11(18)9-12/h3-5,9H,2,6-8,10H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-(3-chlorophenyl)-3-(1,1-difluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-chlorophenyl)-3-(1,1-difluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(1,1-difluorobutyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121435467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).