4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide

C16H22N4O — CID 62076132

IUPAC4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)N(C)CCc2ccccc2)c1N
InChIInChI=1S/C16H22N4O/c1-3-7-13-14(17)15(19-18-13)16(21)20(2)11-10-12-8-5-4-6-9-12/h4-6,8-9H,3,7,10-11,17H2,1-2H3,(H,18,19)
InChIKeyWEWYRBAKYKNISU-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.26
Rot. Bonds6

About 4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 62076132) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID62076132
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)N(C)CCc2ccccc2)c1N
InChIInChI=1S/C16H22N4O/c1-3-7-13-14(17)15(19-18-13)16(21)20(2)11-10-12-8-5-4-6-9-12/h4-6,8-9H,3,7,10-11,17H2,1-2H3,(H,18,19)
InChIKeyWEWYRBAKYKNISU-UHFFFAOYSA-N
XLogP2.26
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 63694582
4-amino-N-methyl-5-propyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62076095
4-amino-N,N-diethyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075271
4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62081799
4-amino-N-[2-(dimethylamino)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 63694755
4-amino-N-ethyl-5-propyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62076293
4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62077427
4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106899103
4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075783
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
4-amino-N-benzyl-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62081458
4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075785

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 62076132) is 4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)N(C)CCc2ccccc2)c1N.
What is the InChIKey of 4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is WEWYRBAKYKNISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-7-13-14(17)15(19-18-13)16(21)20(2)11-10-12-8-5-4-6-9-12/h4-6,8-9H,3,7,10-11,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-methyl-N-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.26, 6 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-(2-phenylethyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).