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

C14H18N4O — CID 55178986

IUPAC4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)c1[nH]ncc1N
InChIInChI=1S/C14H18N4O/c1-9-5-3-4-6-11(9)7-10(2)17-14(19)13-12(15)8-16-18-13/h3-6,8,10H,7,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyCHDQOQAKGQTKSG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.66
Rot. Bonds4

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

4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 55178986) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide
PubChem CID55178986
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)c1[nH]ncc1N
InChIInChI=1S/C14H18N4O/c1-9-5-3-4-6-11(9)7-10(2)17-14(19)13-12(15)8-16-18-13/h3-6,8,10H,7,15H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyCHDQOQAKGQTKSG-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 60933669
4-amino-1-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrazole-5-carboxamide
CID 65355631
4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 82944742
3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104122
2,4-diamino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104126
2-amino-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 62060793
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 47296505
4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide
CID 63106670
4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 55178020
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]butanamide;hydrochloride
CID 119297318
2-bromo-N-[1-(2-methylphenyl)propan-2-yl]butanamide
CID 62854671

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide (CID 55178986) is 4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide is Cc1ccccc1CC(C)NC(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is CHDQOQAKGQTKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-5-3-4-6-11(9)7-10(2)17-14(19)13-12(15)8-16-18-13/h3-6,8,10H,7,15H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide?
4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 55178986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).