3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide

C13H17N5O — CID 114139144

IUPAC3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide
SMILESCc1c(CNc2ccc(C(N)=O)cc2N)cnn1C
InChIInChI=1S/C13H17N5O/c1-8-10(7-17-18(8)2)6-16-12-4-3-9(13(15)19)5-11(12)14/h3-5,7,16H,6,14H2,1-2H3,(H2,15,19)
InChIKeyYVANPGPBMNTVOI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.02
Rot. Bonds4

About 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide

3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide (PubChem CID 114139144) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide
PubChem CID114139144
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide
SMILESCc1c(CNc2ccc(C(N)=O)cc2N)cnn1C
InChIInChI=1S/C13H17N5O/c1-8-10(7-17-18(8)2)6-16-12-4-3-9(13(15)19)5-11(12)14/h3-5,7,16H,6,14H2,1-2H3,(H2,15,19)
InChIKeyYVANPGPBMNTVOI-UHFFFAOYSA-N
XLogP1.02
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-ethylbenzamide
CID 106035548
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide
CID 79578897
methyl 4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-methylbenzoate
CID 79578378
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 102978759
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 106035268
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-fluorobenzoic acid
CID 79578895
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide
CID 79569576
3-amino-4-(2,2-dimethylpropylamino)benzamide
CID 61166870
1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone
CID 113259835
3-amino-4-(ethylamino)benzamide
CID 43448330
3-amino-4-[(2-methoxyphenyl)methylamino]benzamide
CID 43448336
3-amino-4-[2-(1-methylpyrazol-4-yl)ethylamino]benzamide
CID 80680600

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide?
The IUPAC name of 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide (CID 114139144) is 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide?
The canonical SMILES for 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide is Cc1c(CNc2ccc(C(N)=O)cc2N)cnn1C.
What is the InChIKey of 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide?
The InChIKey is YVANPGPBMNTVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8-10(7-17-18(8)2)6-16-12-4-3-9(13(15)19)5-11(12)14/h3-5,7,16H,6,14H2,1-2H3,(H2,15,19).
What are the key properties of 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide?
3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 114139144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).