5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide

C15H20N4O — CID 134508370

IUPAC5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCCc1nn(C(C)c2ccc(C)cc2)c(N)c1C(N)=O
InChIInChI=1S/C15H20N4O/c1-4-12-13(15(17)20)14(16)19(18-12)10(3)11-7-5-9(2)6-8-11/h5-8,10H,4,16H2,1-3H3,(H2,17,20)
InChIKeyROMXATKTGDYBKE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.04
Rot. Bonds4

About 5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide

5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 134508370) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide
PubChem CID134508370
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCCc1nn(C(C)c2ccc(C)cc2)c(N)c1C(N)=O
InChIInChI=1S/C15H20N4O/c1-4-12-13(15(17)20)14(16)19(18-12)10(3)11-7-5-9(2)6-8-11/h5-8,10H,4,16H2,1-3H3,(H2,17,20)
InChIKeyROMXATKTGDYBKE-UHFFFAOYSA-N
XLogP2.04
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2,2-trifluoroethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CID 135567410
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide
CID 2320453
(11R)-5-benzyl-4,8-dimethyl-11-propan-2-yl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
CID 10640686
5-amino-1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazole-4-carboxamide
CID 73670809
5-Amino-3-naphthalen-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 73670971
5-Amino-1-(2,2-dimethylpropyl)-3-naphthalen-2-ylpyrazole-4-carboxamide
CID 73670972
5-Amino-1-cyclohexyl-3-naphthalen-2-ylpyrazole-4-carboxamide
CID 76313925
5-Amino-1-ethyl-3-naphthalen-2-ylpyrazole-4-carboxamide
CID 76317457
5-Amino-3-naphthalen-2-yl-1-propan-2-ylpyrazole-4-carboxamide
CID 76321190
5-Amino-1-(cyclohexylmethyl)-3-naphthalen-2-ylpyrazole-4-carboxamide
CID 76321191
5-Amino-1-(2-methylpropyl)-3-naphthalen-2-ylpyrazole-4-carboxamide
CID 76324816
5-Amino-1-(cyclopropylmethyl)-3-naphthalen-2-ylpyrazole-4-carboxamide
CID 76324817

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide (CID 134508370) is 5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide is CCc1nn(C(C)c2ccc(C)cc2)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is ROMXATKTGDYBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-12-13(15(17)20)14(16)19(18-12)10(3)11-7-5-9(2)6-8-11/h5-8,10H,4,16H2,1-3H3,(H2,17,20).
What are the key properties of 5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide?
5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-1-[1-(4-methylphenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 134508370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).