2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

C14H18N4O — CID 104616261

IUPAC2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2cc(C(C)C)[nH]n2)c1N
InChIInChI=1S/C14H18N4O/c1-8(2)11-7-12(18-17-11)16-14(19)10-6-4-5-9(3)13(10)15/h4-8H,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyDVLNNOBBYJICDM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.68
Rot. Bonds3

About 2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 104616261) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID104616261
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2cc(C(C)C)[nH]n2)c1N
InChIInChI=1S/C14H18N4O/c1-8(2)11-7-12(18-17-11)16-14(19)10-6-4-5-9(3)13(10)15/h4-8H,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyDVLNNOBBYJICDM-UHFFFAOYSA-N
XLogP2.68
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.68
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

2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 113339737
5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616320
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115610359
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 104616434
4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404997
4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115868449
2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404950
5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-carboxamide
CID 113433770
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 47404893
2-amino-3-methyl-N-pyrazin-2-ylbenzamide
CID 43616017
6-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-2-carboxamide
CID 113342682

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (CID 104616261) is 2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is Cc1cccc(C(=O)Nc2cc(C(C)C)[nH]n2)c1N.
What is the InChIKey of 2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is DVLNNOBBYJICDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-8(2)11-7-12(18-17-11)16-14(19)10-6-4-5-9(3)13(10)15/h4-8H,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 258.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 104616261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).