1H-pyrazole-5-carboxamide;hydrate

C4H7N3O2 — CID 172743817

IUPAC1H-pyrazole-5-carboxamide;hydrate
SMILESNC(=O)c1ccn[nH]1.O
InChIInChI=1S/C4H5N3O.H2O/c5-4(8)3-1-2-6-7-3;/h1-2H,(H2,5,8)(H,6,7);1H2
InChIKeyJLJKDHKERCZVIP-UHFFFAOYSA-N
MW129.12 g/mol
LogP-1.32
Rot. Bonds1

About 1H-pyrazole-5-carboxamide;hydrate

1H-pyrazole-5-carboxamide;hydrate (PubChem CID 172743817) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 1H-pyrazole-5-carboxamide;hydrate.

Molecular Properties

Compound Name1H-pyrazole-5-carboxamide;hydrate
PubChem CID172743817
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name1H-pyrazole-5-carboxamide;hydrate
SMILESNC(=O)c1ccn[nH]1.O
InChIInChI=1S/C4H5N3O.H2O/c5-4(8)3-1-2-6-7-3;/h1-2H,(H2,5,8)(H,6,7);1H2
InChIKeyJLJKDHKERCZVIP-UHFFFAOYSA-N
XLogP-1.32
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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copper(1+);1H-pyrazole-5-carboxylate
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dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid
CID 158864481
carboxy 1H-pyrazole-5-carboxylate
CID 154449295
piperidin-1-amine;1H-pyrazole-5-carboxylic acid
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N-(4-aminobutan-2-yl)-N-methyl-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-5-carboxamide;hydrate?
The IUPAC name of 1H-pyrazole-5-carboxamide;hydrate (CID 172743817) is 1H-pyrazole-5-carboxamide;hydrate.
What is the SMILES notation for 1H-pyrazole-5-carboxamide;hydrate?
The canonical SMILES for 1H-pyrazole-5-carboxamide;hydrate is NC(=O)c1ccn[nH]1.O.
What is the InChIKey of 1H-pyrazole-5-carboxamide;hydrate?
The InChIKey is JLJKDHKERCZVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O.H2O/c5-4(8)3-1-2-6-7-3;/h1-2H,(H2,5,8)(H,6,7);1H2.
What are the key properties of 1H-pyrazole-5-carboxamide;hydrate?
1H-pyrazole-5-carboxamide;hydrate has a molecular weight of 129.12 g/mol, XLogP of -1.32, 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;hydrate is sourced from PubChem (CID 172743817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).