3-amino-1-phenylpyrazole-4-carboxamide

C10H10N4O — CID 8831909

IUPAC3-amino-1-phenylpyrazole-4-carboxamide
SMILESNC(=O)c1cn(-c2ccccc2)nc1N
InChIInChI=1S/C10H10N4O/c11-9-8(10(12)15)6-14(13-9)7-4-2-1-3-5-7/h1-6H,(H2,11,13)(H2,12,15)
InChIKeyBKSKDJDJPBQJJD-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.55
Rot. Bonds2

About 3-amino-1-phenylpyrazole-4-carboxamide

3-amino-1-phenylpyrazole-4-carboxamide (PubChem CID 8831909) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-amino-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-1-phenylpyrazole-4-carboxamide
PubChem CID8831909
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name3-amino-1-phenylpyrazole-4-carboxamide
SMILESNC(=O)c1cn(-c2ccccc2)nc1N
InChIInChI=1S/C10H10N4O/c11-9-8(10(12)15)6-14(13-9)7-4-2-1-3-5-7/h1-6H,(H2,11,13)(H2,12,15)
InChIKeyBKSKDJDJPBQJJD-UHFFFAOYSA-N
XLogP0.55
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-amino-1-phenylpyrazole-4-carboxamide (CID 8831909) is 3-amino-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-amino-1-phenylpyrazole-4-carboxamide is NC(=O)c1cn(-c2ccccc2)nc1N.
What is the InChIKey of 3-amino-1-phenylpyrazole-4-carboxamide?
The InChIKey is BKSKDJDJPBQJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-9-8(10(12)15)6-14(13-9)7-4-2-1-3-5-7/h1-6H,(H2,11,13)(H2,12,15).
What are the key properties of 3-amino-1-phenylpyrazole-4-carboxamide?
3-amino-1-phenylpyrazole-4-carboxamide has a molecular weight of 202.22 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 8831909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).