4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C16H22N4O — CID 62076393

IUPAC4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2n[nH]c(C(C)C)c2N)c1
InChIInChI=1S/C16H22N4O/c1-10(2)14-13(17)15(19-18-14)16(21)20(4)9-12-7-5-6-11(3)8-12/h5-8,10H,9,17H2,1-4H3,(H,18,19)
InChIKeyGYNIMJYOJSMVSS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.70
Rot. Bonds4

About 4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 62076393) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID62076393
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1cccc(CN(C)C(=O)c2n[nH]c(C(C)C)c2N)c1
InChIInChI=1S/C16H22N4O/c1-10(2)14-13(17)15(19-18-14)16(21)20(4)9-12-7-5-6-11(3)8-12/h5-8,10H,9,17H2,1-4H3,(H,18,19)
InChIKeyGYNIMJYOJSMVSS-UHFFFAOYSA-N
XLogP2.70
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(4-bromophenyl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076563
4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076063
4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 62082996
4-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 62682971
4-amino-N-[(3-bromophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076742
4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide
CID 62076228
4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 63207158
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081233
4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide
CID 66125622
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
2-methyl-3-[[methyl-[(3-methylphenyl)methyl]carbamoyl]amino]propanoic acid
CID 62671339
4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116663126

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 62076393) is 4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is Cc1cccc(CN(C)C(=O)c2n[nH]c(C(C)C)c2N)c1.
What is the InChIKey of 4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is GYNIMJYOJSMVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10(2)14-13(17)15(19-18-14)16(21)20(4)9-12-7-5-6-11(3)8-12/h5-8,10H,9,17H2,1-4H3,(H,18,19).
What are the key properties of 4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).