1H-pyrazole-5-carboxamide

C4H5N3O — CID 15239624

IUPAC1H-pyrazole-5-carboxamide
SMILESNC(=O)c1ccn[nH]1
InChIInChI=1S/C4H5N3O/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)(H,6,7)
InChIKeyBNYCHCAYYYRJSH-UHFFFAOYSA-N
MW111.10 g/mol
LogP-0.49
Rot. Bonds1

About 1H-pyrazole-5-carboxamide

1H-pyrazole-5-carboxamide (PubChem CID 15239624) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is 1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name1H-pyrazole-5-carboxamide
PubChem CID15239624
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name1H-pyrazole-5-carboxamide
SMILESNC(=O)c1ccn[nH]1
InChIInChI=1S/C4H5N3O/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)(H,6,7)
InChIKeyBNYCHCAYYYRJSH-UHFFFAOYSA-N
XLogP-0.49
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-pyrazol-3-yl)ethan-1-one
CID 333471
4-amino-1H-pyrazole-5-carboxamide
CID 580973
1H-pyrazole-3-carbaldehyde
CID 12218383
N'-cyclopentylidene-1H-pyrazole-5-carbohydrazide
CID 763137
1H-pyrazole-5-carbohydrazide
CID 7147494
n-Methyl-1h-pyrazole-3-carboxamide
CID 19704574
N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 53017380
4-methyl-1H-pyrazole-3-carboxamide
CID 19376020
4-Chloro-1H-pyrazole-3-carboxamide
CID 46318315
N~3~-isobutyl-1H-pyrazole-3-carboxamide
CID 53017403
N'-propan-2-yl-1H-pyrazole-5-carbohydrazide
CID 90679861
4-Fluoro-1h-pyrazole-3-carboxamide
CID 15374528

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-5-carboxamide?
The IUPAC name of 1H-pyrazole-5-carboxamide (CID 15239624) is 1H-pyrazole-5-carboxamide.
What is the SMILES notation for 1H-pyrazole-5-carboxamide?
The canonical SMILES for 1H-pyrazole-5-carboxamide is NC(=O)c1ccn[nH]1.
What is the InChIKey of 1H-pyrazole-5-carboxamide?
The InChIKey is BNYCHCAYYYRJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)(H,6,7).
What are the key properties of 1H-pyrazole-5-carboxamide?
1H-pyrazole-5-carboxamide has a molecular weight of 111.10 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-5-carboxamide is sourced from PubChem (CID 15239624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).