4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide

C15H20N4O — CID 65355631

IUPAC4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)c1c(N)cnn1C
InChIInChI=1S/C15H20N4O/c1-10-6-4-5-7-12(10)8-11(2)18-15(20)14-13(16)9-17-19(14)3/h4-7,9,11H,8,16H2,1-3H3,(H,18,20)
InChIKeyNDVVEFOZLWOQRC-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.67
Rot. Bonds4

About 4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide

4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide (PubChem CID 65355631) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide
PubChem CID65355631
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)c1c(N)cnn1C
InChIInChI=1S/C15H20N4O/c1-10-6-4-5-7-12(10)8-11(2)18-15(20)14-13(16)9-17-19(14)3/h4-7,9,11H,8,16H2,1-3H3,(H,18,20)
InChIKeyNDVVEFOZLWOQRC-UHFFFAOYSA-N
XLogP1.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 60933669
4-amino-N-hexan-2-yl-1-methylpyrazole-5-carboxamide
CID 65359999
4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 55178986
4-amino-N-[4-(dimethylamino)butan-2-yl]-1-methylpyrazole-5-carboxamide
CID 65359893
4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide
CID 65359456
3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104122
ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)amino]propanoate
CID 65359556
4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
CID 107861729
2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 62060793
2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104126
1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide
CID 107496790
4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65355770

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide (CID 65355631) is 4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide is Cc1ccccc1CC(C)NC(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide?
The InChIKey is NDVVEFOZLWOQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-6-4-5-7-12(10)8-11(2)18-15(20)14-13(16)9-17-19(14)3/h4-7,9,11H,8,16H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide?
4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 65355631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).