4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide

C14H18N4O — CID 62305713

IUPAC4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide
SMILESCCC(NC(=O)c1n[nH]c(C)c1N)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-3-11(10-7-5-4-6-8-10)16-14(19)13-12(15)9(2)17-18-13/h4-8,11H,3,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHJAMRRYAQGDDGH-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.18
Rot. Bonds4

About 4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 62305713) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID62305713
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide
SMILESCCC(NC(=O)c1n[nH]c(C)c1N)c1ccccc1
InChIInChI=1S/C14H18N4O/c1-3-11(10-7-5-4-6-8-10)16-14(19)13-12(15)9(2)17-18-13/h4-8,11H,3,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyHJAMRRYAQGDDGH-UHFFFAOYSA-N
XLogP2.18
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide
CID 55034284
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94344980
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082971
4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
CID 62379290
N-(2-hydroxy-1-phenylethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 55159643
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
4-amino-6-methyl-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 81241004
4-amino-5-methyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-3-carboxamide
CID 62080891
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide
CID 62082646
4-amino-N-hex-1-yn-3-yl-5-methyl-1H-pyrazole-3-carboxamide
CID 106223482

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide (CID 62305713) is 4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide is CCC(NC(=O)c1n[nH]c(C)c1N)c1ccccc1.
What is the InChIKey of 4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is HJAMRRYAQGDDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-11(10-7-5-4-6-8-10)16-14(19)13-12(15)9(2)17-18-13/h4-8,11H,3,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62305713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).