4-amino-N,1,3-trimethyl-N-(1-phenylethyl)pyrazole-5-carboxamide

C15H20N4O — CID 66124560

IUPAC4-amino-N,1,3-trimethyl-N-(1-phenylethyl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(C)C(C)c2ccccc2)c1N
InChIInChI=1S/C15H20N4O/c1-10-13(16)14(19(4)17-10)15(20)18(3)11(2)12-8-6-5-7-9-12/h5-9,11H,16H2,1-4H3
InChIKeyGLTBQQHUCSUWJV-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.14
Rot. Bonds3

About 4-amino-N,1,3-trimethyl-N-(1-phenylethyl)pyrazole-5-carboxamide

4-amino-N,1,3-trimethyl-N-(1-phenylethyl)pyrazole-5-carboxamide (PubChem CID 66124560) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N,1,3-trimethyl-N-(1-phenylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N,1,3-trimethyl-N-(1-phenylethyl)pyrazole-5-carboxamide
PubChem CID66124560
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-N,1,3-trimethyl-N-(1-phenylethyl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(C)C(C)c2ccccc2)c1N
InChIInChI=1S/C15H20N4O/c1-10-13(16)14(19(4)17-10)15(20)18(3)11(2)12-8-6-5-7-9-12/h5-9,11H,16H2,1-4H3
InChIKeyGLTBQQHUCSUWJV-UHFFFAOYSA-N
XLogP2.14
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 66123402
4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 66123414
4-amino-N-(1-methoxypropan-2-yl)-N,1,3-trimethylpyrazole-5-carboxamide
CID 66124373
methyl(1-phenylethyl)carbamic acid
CID 67062794
N,1,3-trimethyl-N-[(1S)-1-phenylethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32909140
4-amino-1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 66123978
4-amino-N,1,3-trimethyl-N-(2-methylbutyl)pyrazole-5-carboxamide
CID 66122221
4-amino-1,3-dimethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide
CID 66124755
4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide
CID 66125175
N-methyl-N-[(1S)-1-phenylethyl]-1-trimethylsilylformamide
CID 102208486
N,2-dimethyl-N-(1-phenylethyl)benzamide
CID 78799210
4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide
CID 60939381

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1,3-trimethyl-N-(1-phenylethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N,1,3-trimethyl-N-(1-phenylethyl)pyrazole-5-carboxamide (CID 66124560) is 4-amino-N,1,3-trimethyl-N-(1-phenylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N,1,3-trimethyl-N-(1-phenylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N,1,3-trimethyl-N-(1-phenylethyl)pyrazole-5-carboxamide is Cc1nn(C)c(C(=O)N(C)C(C)c2ccccc2)c1N.
What is the InChIKey of 4-amino-N,1,3-trimethyl-N-(1-phenylethyl)pyrazole-5-carboxamide?
The InChIKey is GLTBQQHUCSUWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-13(16)14(19(4)17-10)15(20)18(3)11(2)12-8-6-5-7-9-12/h5-9,11H,16H2,1-4H3.
What are the key properties of 4-amino-N,1,3-trimethyl-N-(1-phenylethyl)pyrazole-5-carboxamide?
4-amino-N,1,3-trimethyl-N-(1-phenylethyl)pyrazole-5-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1,3-trimethyl-N-(1-phenylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66124560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).