N-cyclopropyl-5-[2-(3,4-dichlorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C18H18Cl2N4O2 — CID 46168614

IUPACN-cyclopropyl-5-[2-(3,4-dichlorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NC1CC1)c1n[nH]c2c1CN(C(=O)Cc1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C18H18Cl2N4O2/c19-13-4-1-10(7-14(13)20)8-16(25)24-6-5-15-12(9-24)17(23-22-15)18(26)21-11-2-3-11/h1,4,7,11H,2-3,5-6,8-9H2,(H,21,26)(H,22,23)
InChIKeyDZHPBSQFJPGXRJ-UHFFFAOYSA-N
MW393.27 g/mol
LogP2.74
Rot. Bonds4

About N-cyclopropyl-5-[2-(3,4-dichlorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N-cyclopropyl-5-[2-(3,4-dichlorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 46168614) has the molecular formula C18H18Cl2N4O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is N-cyclopropyl-5-[2-(3,4-dichlorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[2-(3,4-dichlorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID46168614
Molecular FormulaC18H18Cl2N4O2
Molecular Weight393.27 g/mol
Exact Mass392.08
IUPAC NameN-cyclopropyl-5-[2-(3,4-dichlorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESO=C(NC1CC1)c1n[nH]c2c1CN(C(=O)Cc1ccc(Cl)c(Cl)c1)CC2
InChIInChI=1S/C18H18Cl2N4O2/c19-13-4-1-10(7-14(13)20)8-16(25)24-6-5-15-12(9-24)17(23-22-15)18(26)21-11-2-3-11/h1,4,7,11H,2-3,5-6,8-9H2,(H,21,26)(H,22,23)
InChIKeyDZHPBSQFJPGXRJ-UHFFFAOYSA-N
XLogP2.74
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(3,4-dichlorophenyl)acetyl]-N-(2-phenylethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46079356
N-cyclopropyl-5-[2-(4-nitrophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874572
N-cyclopropyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874574
2-(3,4-dichlorophenyl)-1-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 42877099
5-[2-(4-methoxyphenyl)acetyl]-N-[2-(4-methoxyphenyl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46079385
2-(3-chlorophenyl)-1-[3-(piperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 46076284
N-benzyl-5-[2-(3,4-dimethoxyphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46075959
N-(1,3-benzodioxol-5-ylmethyl)-5-[2-(4-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874683
5-(3,5-difluorobenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914468
5-[2-(2,4-dichlorophenyl)acetyl]-N-[(3-methylphenyl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076104
N-[2-(4-methoxyphenyl)ethyl]-5-[2-(4-methylphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46079387
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[2-(3,4-dichlorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[2-(3,4-dichlorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 46168614) is N-cyclopropyl-5-[2-(3,4-dichlorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[2-(3,4-dichlorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[2-(3,4-dichlorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NC1CC1)c1n[nH]c2c1CN(C(=O)Cc1ccc(Cl)c(Cl)c1)CC2.
What is the InChIKey of N-cyclopropyl-5-[2-(3,4-dichlorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is DZHPBSQFJPGXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2/c19-13-4-1-10(7-14(13)20)8-16(25)24-6-5-15-12(9-24)17(23-22-15)18(26)21-11-2-3-11/h1,4,7,11H,2-3,5-6,8-9H2,(H,21,26)(H,22,23).
What are the key properties of N-cyclopropyl-5-[2-(3,4-dichlorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N-cyclopropyl-5-[2-(3,4-dichlorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 393.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[2-(3,4-dichlorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 46168614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).