4-chloro-1H-pyrazole-5-carboxamide

C4H4ClN3O — CID 46318315

IUPAC4-chloro-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1Cl
InChIInChI=1S/C4H4ClN3O/c5-2-1-7-8-3(2)4(6)9/h1H,(H2,6,9)(H,7,8)
InChIKeyBSRADBHDGBSUDE-UHFFFAOYSA-N
MW145.55 g/mol
LogP0.16
Rot. Bonds1

About 4-chloro-1H-pyrazole-5-carboxamide

4-chloro-1H-pyrazole-5-carboxamide (PubChem CID 46318315) has the molecular formula C4H4ClN3O and a molecular weight of 145.55 g/mol. Its IUPAC name is 4-chloro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1H-pyrazole-5-carboxamide
PubChem CID46318315
Molecular FormulaC4H4ClN3O
Molecular Weight145.55 g/mol
Exact Mass145.00
IUPAC Name4-chloro-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1Cl
InChIInChI=1S/C4H4ClN3O/c5-2-1-7-8-3(2)4(6)9/h1H,(H2,6,9)(H,7,8)
InChIKeyBSRADBHDGBSUDE-UHFFFAOYSA-N
XLogP0.16
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.55
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-3-formylpyrazole
CID 2761026
1H-Pyrazole-5-carboxamide
CID 15239624
4-methyl-1H-pyrazole-3-carboxamide
CID 19376020
4-Fluoro-1h-pyrazole-3-carboxamide
CID 15374528
4-Methylpyrazole-3-carboxamide hydrochloride
CID 19376019
1h-Pyrazole-3-carboxamide hydrochloride
CID 53486373
4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 90092658
4-(fluoromethyl)-1H-pyrazole-5-carboxamide
CID 141375751
4-fluoro-1H-pyrazole-5-carbonyl chloride
CID 162517896
4-chloro-N-cyclopropyl-1H-pyrazole-5-carboxamide
CID 19479222
4-chloro-N-methyl-1H-pyrazole-5-carboxamide
CID 19479452
4-chloro-1H-pyrazole-3-carbonyl chloride
CID 19619553

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1H-pyrazole-5-carboxamide (CID 46318315) is 4-chloro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1H-pyrazole-5-carboxamide is NC(=O)c1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-1H-pyrazole-5-carboxamide?
The InChIKey is BSRADBHDGBSUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3O/c5-2-1-7-8-3(2)4(6)9/h1H,(H2,6,9)(H,7,8).
What are the key properties of 4-chloro-1H-pyrazole-5-carboxamide?
4-chloro-1H-pyrazole-5-carboxamide has a molecular weight of 145.55 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46318315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).