4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide

C15H20N4O — CID 63103779

IUPAC4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)c1[nH]ncc1N
InChIInChI=1S/C15H20N4O/c1-3-8-19(10-12-6-4-11(2)5-7-12)15(20)14-13(16)9-17-18-14/h4-7,9H,3,8,10,16H2,1-2H3,(H,17,18)
InChIKeyLFNZJXIBPMCJHS-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.35
Rot. Bonds5

About 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide

4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide (PubChem CID 63103779) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide
PubChem CID63103779
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)c1[nH]ncc1N
InChIInChI=1S/C15H20N4O/c1-3-8-19(10-12-6-4-11(2)5-7-12)15(20)14-13(16)9-17-18-14/h4-7,9H,3,8,10,16H2,1-2H3,(H,17,18)
InChIKeyLFNZJXIBPMCJHS-UHFFFAOYSA-N
XLogP2.35
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 63101974
4-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 63102316
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide
CID 63101976
4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide
CID 63102288
4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide
CID 62687071
4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63101793
4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63104327
6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide
CID 63973383
4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55161300
4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63102864
2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide
CID 106686184
4-amino-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 63107047

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide (CID 63103779) is 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide is CCCN(Cc1ccc(C)cc1)C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide?
The InChIKey is LFNZJXIBPMCJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-8-19(10-12-6-4-11(2)5-7-12)15(20)14-13(16)9-17-18-14/h4-7,9H,3,8,10,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide?
4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63103779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).