N-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide

C15H20N4O — CID 119583661

IUPACN-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)cc1C(=O)N(C)C(C)CN
InChIInChI=1S/C15H20N4O/c1-11(9-16)18(3)15(20)14-10-19(17-12(14)2)13-7-5-4-6-8-13/h4-8,10-11H,9,16H2,1-3H3
InChIKeyCOUVSUGVUGZYAM-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.60
Rot. Bonds4

About N-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide

N-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 119583661) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID119583661
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)cc1C(=O)N(C)C(C)CN
InChIInChI=1S/C15H20N4O/c1-11(9-16)18(3)15(20)14-10-19(17-12(14)2)13-7-5-4-6-8-13/h4-8,10-11H,9,16H2,1-3H3
InChIKeyCOUVSUGVUGZYAM-UHFFFAOYSA-N
XLogP1.60
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119232920
2-[(3-methyl-1-phenylpyrazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 119193123
2-[cyclopropyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 119195118
N-(1-aminopropan-2-yl)-N-methylnaphthalene-1-carboxamide
CID 112701394
N-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride
CID 119581500
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 45285661
3-methyl-1-phenylpyrazole-4-carbothioamide
CID 15166191
N-(1-aminopropan-2-yl)-1-benzyl-N,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119584582
N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide
CID 115737352
N-(1-hydroxypropan-2-yl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 103846922
[4-(1-aminoethyl)piperidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119519261
2-(3-methyl-1-phenylpyrazol-4-yl)propanoic acid
CID 83894109

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide (CID 119583661) is N-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)cc1C(=O)N(C)C(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is COUVSUGVUGZYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(9-16)18(3)15(20)14-10-19(17-12(14)2)13-7-5-4-6-8-13/h4-8,10-11H,9,16H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide?
N-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N,3-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 119583661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).