N-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide

C15H16N4O2 — CID 103121306

IUPACN-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(C#CCN)cc1NC(=O)c1ccn(C)n1
InChIInChI=1S/C15H16N4O2/c1-19-9-7-12(18-19)15(20)17-13-10-11(4-3-8-16)5-6-14(13)21-2/h5-7,9-10H,8,16H2,1-2H3,(H,17,20)
InChIKeyFUOVIOJNLCRXIA-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.99
Rot. Bonds3

About N-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide

N-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 103121306) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide
PubChem CID103121306
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(C#CCN)cc1NC(=O)c1ccn(C)n1
InChIInChI=1S/C15H16N4O2/c1-19-9-7-12(18-19)15(20)17-13-10-11(4-3-8-16)5-6-14(13)21-2/h5-7,9-10H,8,16H2,1-2H3,(H,17,20)
InChIKeyFUOVIOJNLCRXIA-UHFFFAOYSA-N
XLogP0.99
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 103121262
5-(3-aminoprop-1-ynyl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 62959215
N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103121304
N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 166204498
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1-methylimidazole-4-carboxamide
CID 107974092
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(1-methylpyrazol-3-yl)benzamide
CID 60822421
N-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-2-methylthiolane-2-carboxamide
CID 81453284
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrazine-2-carboxamide
CID 62909235
N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide
CID 71818589
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methylimidazole-4-carboxamide
CID 103511844
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide
CID 60813372
3-(3-chloro-4-methoxyphenyl)prop-2-yn-1-amine
CID 60802193

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide (CID 103121306) is N-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide is COc1ccc(C#CCN)cc1NC(=O)c1ccn(C)n1.
What is the InChIKey of N-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is FUOVIOJNLCRXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-19-9-7-12(18-19)15(20)17-13-10-11(4-3-8-16)5-6-14(13)21-2/h5-7,9-10H,8,16H2,1-2H3,(H,17,20).
What are the key properties of N-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide?
N-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103121306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).