5-amino-3-anilino-1H-pyrazole-4-carboxamide

C10H11N5O — CID 2357212

IUPAC5-amino-3-anilino-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2ccccc2)n[nH]c1N
InChIInChI=1S/C10H11N5O/c11-8-7(9(12)16)10(15-14-8)13-6-4-2-1-3-5-6/h1-5H,(H2,12,16)(H4,11,13,14,15)
InChIKeyLKGZYBHHNZOVJA-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.83
Rot. Bonds3

About 5-amino-3-anilino-1H-pyrazole-4-carboxamide

5-amino-3-anilino-1H-pyrazole-4-carboxamide (PubChem CID 2357212) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-amino-3-anilino-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-anilino-1H-pyrazole-4-carboxamide
PubChem CID2357212
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name5-amino-3-anilino-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2ccccc2)n[nH]c1N
InChIInChI=1S/C10H11N5O/c11-8-7(9(12)16)10(15-14-8)13-6-4-2-1-3-5-6/h1-5H,(H2,12,16)(H4,11,13,14,15)
InChIKeyLKGZYBHHNZOVJA-UHFFFAOYSA-N
XLogP0.83
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-anilino-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-anilino-1H-pyrazole-4-carboxamide (CID 2357212) is 5-amino-3-anilino-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-anilino-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-anilino-1H-pyrazole-4-carboxamide is NC(=O)c1c(Nc2ccccc2)n[nH]c1N.
What is the InChIKey of 5-amino-3-anilino-1H-pyrazole-4-carboxamide?
The InChIKey is LKGZYBHHNZOVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-8-7(9(12)16)10(15-14-8)13-6-4-2-1-3-5-6/h1-5H,(H2,12,16)(H4,11,13,14,15).
What are the key properties of 5-amino-3-anilino-1H-pyrazole-4-carboxamide?
5-amino-3-anilino-1H-pyrazole-4-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.83, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-anilino-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 2357212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).