4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide

C15H16N4O — CID 60822064

IUPAC4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1ccc(C#CCN)cc1
InChIInChI=1S/C15H16N4O/c1-10-14(11(2)19-18-10)17-15(20)13-7-5-12(6-8-13)4-3-9-16/h5-8H,9,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyMZANYYKJZVKLRA-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.59
Rot. Bonds2

About 4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide

4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide (PubChem CID 60822064) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
PubChem CID60822064
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1ccc(C#CCN)cc1
InChIInChI=1S/C15H16N4O/c1-10-14(11(2)19-18-10)17-15(20)13-7-5-12(6-8-13)4-3-9-16/h5-8H,9,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyMZANYYKJZVKLRA-UHFFFAOYSA-N
XLogP1.59
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 60815935
5-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-3-carboxamide
CID 79684581
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(3-hydroxyprop-1-ynyl)-4-methylbenzamide
CID 81460066
4-(3-aminoprop-1-ynyl)-N-(2,4-dimethylphenyl)benzamide
CID 60821609
3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 43399198
N-[4-(3-aminoprop-1-ynyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60813276
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 43546705
4-(3-aminoprop-1-ynyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376208
N-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalene-2-carboxamide
CID 43399081
N-[4-(3-aminoprop-1-ynyl)phenyl]-4-methylsulfanylbenzamide
CID 79214098
N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-(methylamino)pyridine-3-carboxamide
CID 62168366
4-(3-aminoprop-1-ynyl)-N-(4-fluoro-3-methylphenyl)benzamide
CID 62813798

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide (CID 60822064) is 4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide is Cc1n[nH]c(C)c1NC(=O)c1ccc(C#CCN)cc1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
The InChIKey is MZANYYKJZVKLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-10-14(11(2)19-18-10)17-15(20)13-7-5-12(6-8-13)4-3-9-16/h5-8H,9,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide has a molecular weight of 268.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 60822064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).