N-(5-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide

C9H7ClN4O — CID 16667292

IUPACN-(5-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccn[nH]1
InChIInChI=1S/C9H7ClN4O/c10-6-1-2-8(11-5-6)13-9(15)7-3-4-12-14-7/h1-5H,(H,12,14)(H,11,13,15)
InChIKeyQWWPIZPVYYWHSN-UHFFFAOYSA-N
MW222.64 g/mol
LogP1.71
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide

N-(5-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide (PubChem CID 16667292) has the molecular formula C9H7ClN4O and a molecular weight of 222.64 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide
PubChem CID16667292
Molecular FormulaC9H7ClN4O
Molecular Weight222.64 g/mol
Exact Mass222.03
IUPAC NameN-(5-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccn[nH]1
InChIInChI=1S/C9H7ClN4O/c10-6-1-2-8(11-5-6)13-9(15)7-3-4-12-14-7/h1-5H,(H,12,14)(H,11,13,15)
InChIKeyQWWPIZPVYYWHSN-UHFFFAOYSA-N
XLogP1.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.64
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide (CID 16667292) is N-(5-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(Cl)cn1)c1ccn[nH]1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QWWPIZPVYYWHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O/c10-6-1-2-8(11-5-6)13-9(15)7-3-4-12-14-7/h1-5H,(H,12,14)(H,11,13,15).
What are the key properties of N-(5-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide?
N-(5-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide has a molecular weight of 222.64 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 16667292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).