4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide

C16H22N4O — CID 66123978

IUPAC4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC(C)CCc2ccccc2)c1N
InChIInChI=1S/C16H22N4O/c1-11(9-10-13-7-5-4-6-8-13)18-16(21)15-14(17)12(2)19-20(15)3/h4-8,11H,9-10,17H2,1-3H3,(H,18,21)
InChIKeyTZJFWYDZMZQNST-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.06
Rot. Bonds5

About 4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide

4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide (PubChem CID 66123978) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
PubChem CID66123978
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC(C)CCc2ccccc2)c1N
InChIInChI=1S/C16H22N4O/c1-11(9-10-13-7-5-4-6-8-13)18-16(21)15-14(17)12(2)19-20(15)3/h4-8,11H,9-10,17H2,1-3H3,(H,18,21)
InChIKeyTZJFWYDZMZQNST-UHFFFAOYSA-N
XLogP2.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3-ethylpentan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124207
4-amino-N-[(2-ethylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66125184
3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide
CID 30138259
2-amino-6-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 61112835
3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide
CID 30969676
4-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-1,3-dimethylpyrazole-5-carboxamide
CID 105057664
4-amino-N-[1-(3-fluorophenyl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66123418
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
2-amino-3-chloro-N-(4-phenylbutan-2-yl)benzamide
CID 115540229
4-amino-N,1,3-trimethyl-N-(1-phenylethyl)pyrazole-5-carboxamide
CID 66124560
6-amino-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 62072779
4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 55090938

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide (CID 66123978) is 4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NC(C)CCc2ccccc2)c1N.
What is the InChIKey of 4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide?
The InChIKey is TZJFWYDZMZQNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(9-10-13-7-5-4-6-8-13)18-16(21)15-14(17)12(2)19-20(15)3/h4-8,11H,9-10,17H2,1-3H3,(H,18,21).
What are the key properties of 4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide?
4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 66123978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).