3-amino-N-(1H-pyrazol-4-yl)benzamide

C10H10N4O — CID 43539714

IUPAC3-amino-N-(1H-pyrazol-4-yl)benzamide
SMILESNc1cccc(C(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C10H10N4O/c11-8-3-1-2-7(4-8)10(15)14-9-5-12-13-6-9/h1-6H,11H2,(H,12,13)(H,14,15)
InChIKeyCIFVKEDYKTUSHI-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.24
Rot. Bonds2

About 3-amino-N-(1H-pyrazol-4-yl)benzamide

3-amino-N-(1H-pyrazol-4-yl)benzamide (PubChem CID 43539714) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-amino-N-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(1H-pyrazol-4-yl)benzamide
PubChem CID43539714
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name3-amino-N-(1H-pyrazol-4-yl)benzamide
SMILESNc1cccc(C(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C10H10N4O/c11-8-3-1-2-7(4-8)10(15)14-9-5-12-13-6-9/h1-6H,11H2,(H,12,13)(H,14,15)
InChIKeyCIFVKEDYKTUSHI-UHFFFAOYSA-N
XLogP1.24
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43429419
3-(2-aminoethyl)-N-(1H-pyrazol-4-yl)benzamide
CID 62591368
2-amino-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 62154464
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 43429418
3-amino-4-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43539715
N-(1H-pyrazol-4-yl)pyridine-3-carboxamide
CID 20784957
3,4-dimethyl-N-(1H-pyrazol-4-yl)benzamide
CID 43429529
3-(2-methylpropoxy)-N-(1H-pyrazol-4-yl)benzamide
CID 43429540
4-hydroxy-N-(1H-pyrazol-4-yl)benzamide
CID 43540288
3-hydroxy-4-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 43540289
3-amino-N-[3-[(4-aminobenzoyl)amino]phenyl]benzamide
CID 121331562
methyl N-[3-[(3-aminobenzoyl)amino]phenyl]carbamate
CID 60927753

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-amino-N-(1H-pyrazol-4-yl)benzamide (CID 43539714) is 3-amino-N-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-amino-N-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-amino-N-(1H-pyrazol-4-yl)benzamide is Nc1cccc(C(=O)Nc2cn[nH]c2)c1.
What is the InChIKey of 3-amino-N-(1H-pyrazol-4-yl)benzamide?
The InChIKey is CIFVKEDYKTUSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-8-3-1-2-7(4-8)10(15)14-9-5-12-13-6-9/h1-6H,11H2,(H,12,13)(H,14,15).
What are the key properties of 3-amino-N-(1H-pyrazol-4-yl)benzamide?
3-amino-N-(1H-pyrazol-4-yl)benzamide has a molecular weight of 202.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 43539714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).