3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide

C11H13N5O — CID 61138669

IUPAC3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESNc1cc(N)cc(C(=O)NCc2cn[nH]c2)c1
InChIInChI=1S/C11H13N5O/c12-9-1-8(2-10(13)3-9)11(17)14-4-7-5-15-16-6-7/h1-3,5-6H,4,12-13H2,(H,14,17)(H,15,16)
InChIKeyRQZZPDRPUQUHAR-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.50
Rot. Bonds3

About 3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide

3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 61138669) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID61138669
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESNc1cc(N)cc(C(=O)NCc2cn[nH]c2)c1
InChIInChI=1S/C11H13N5O/c12-9-1-8(2-10(13)3-9)11(17)14-4-7-5-15-16-6-7/h1-3,5-6H,4,12-13H2,(H,14,17)(H,15,16)
InChIKeyRQZZPDRPUQUHAR-UHFFFAOYSA-N
XLogP0.50
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63185938
3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63186396
3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61140950
4-carbamothioyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982080
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61139806
4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736168
3,5-difluoro-4-(propylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63185894
2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61139995
5-amino-N-(1H-pyrazol-4-ylmethyl)-1H-indazole-3-carboxamide
CID 61141140
2-chloro-6-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 55046147
2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54904588

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 61138669) is 3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide is Nc1cc(N)cc(C(=O)NCc2cn[nH]c2)c1.
What is the InChIKey of 3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is RQZZPDRPUQUHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-9-1-8(2-10(13)3-9)11(17)14-4-7-5-15-16-6-7/h1-3,5-6H,4,12-13H2,(H,14,17)(H,15,16).
What are the key properties of 3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide?
3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 231.26 g/mol, XLogP of 0.50, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 61138669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).