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

C17H19ClN4O2 — CID 121435412

IUPAC3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCCC(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C17H19ClN4O2/c1-2-4-15(23)16-13-10-22(8-7-14(13)20-21-16)17(24)19-12-6-3-5-11(18)9-12/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,19,24)(H,20,21)
InChIKeyABQLRKIYVVKDRJ-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.64
Rot. Bonds4

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

3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121435412) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121435412
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCCC(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChIInChI=1S/C17H19ClN4O2/c1-2-4-15(23)16-13-10-22(8-7-14(13)20-21-16)17(24)19-12-6-3-5-11(18)9-12/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,19,24)(H,20,21)
InChIKeyABQLRKIYVVKDRJ-UHFFFAOYSA-N
XLogP3.64
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 121442766
CID 121442766
CID 108487928
CID 108487928
CID 121435042
CID 121435042
CID 121435429
CID 121435429
CID 121437164
CID 121437164
CID 121437168
CID 121437168
CID 121437175
CID 121437175
CID 121437182
CID 121437182
CID 121437183
CID 121437183
CID 121437184
CID 121437184
CID 121442731
CID 121442731
CID 121445212
CID 121445212

Frequently Asked Questions

What is the IUPAC name of 3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121435412) is 3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is CCCC(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.
What is the InChIKey of 3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is ABQLRKIYVVKDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-2-4-15(23)16-13-10-22(8-7-14(13)20-21-16)17(24)19-12-6-3-5-11(18)9-12/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,19,24)(H,20,21).
What are the key properties of 3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121435412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).