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

C16H19ClN4O — CID 121435525

IUPACN-(3-chlorophenyl)-3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCCc1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C16H19ClN4O/c1-2-4-14-13-10-21(8-7-15(13)20-19-14)16(22)18-12-6-3-5-11(17)9-12/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,18,22)(H,19,20)
InChIKeyFMTTXKCUZBOYPJ-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.61
Rot. Bonds3

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

N-(3-chlorophenyl)-3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121435525) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121435525
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC NameN-(3-chlorophenyl)-3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCCc1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C16H19ClN4O/c1-2-4-14-13-10-21(8-7-15(13)20-19-14)16(22)18-12-6-3-5-11(17)9-12/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,18,22)(H,19,20)
InChIKeyFMTTXKCUZBOYPJ-UHFFFAOYSA-N
XLogP3.61
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442798
3-(3-bicyclo[3.1.0]hex-1(5)-enyl)-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121443459
N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442811
[5-[(3-chlorophenyl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl] trifluoromethanesulfonate
CID 121435065
N-(3-chlorophenyl)-3-(oxazinane-2-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 166635916
N-(3-chlorophenyl)-3-(2-fluoro-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435101
3-N-(azetidin-3-yloxy)-5-N-(3-chlorophenyl)-3-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121437163
3-ethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 118761559
N-(3-chlorophenyl)-3-pyrazol-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-pyrazol-1-yl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 158788522
N-[1-[3-[(E)-but-1-enyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethenyl]-3-chloroaniline
CID 145116717
tert-butyl 3-amino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-pyrrolidin-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;N-(3-chlorophenyl)-3-pyrrolidin-1-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;1,4-dibromobutane
CID 162163609
5-(3-chlorobenzoyl)-N-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914428

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121435525) is N-(3-chlorophenyl)-3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is CCCc1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.
What is the InChIKey of N-(3-chlorophenyl)-3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is FMTTXKCUZBOYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-2-4-14-13-10-21(8-7-15(13)20-19-14)16(22)18-12-6-3-5-11(17)9-12/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,18,22)(H,19,20).
What are the key properties of N-(3-chlorophenyl)-3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-chlorophenyl)-3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121435525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).