4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide

C13H24N4O — CID 66122980

IUPAC4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NC(C)CC(C)C)c1N
InChIInChI=1S/C13H24N4O/c1-6-10-11(14)12(17(5)16-10)13(18)15-9(4)7-8(2)3/h8-9H,6-7,14H2,1-5H3,(H,15,18)
InChIKeyWEUJMXUPKWZCNX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.73
Rot. Bonds5

About 4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide

4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide (PubChem CID 66122980) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide
PubChem CID66122980
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NC(C)CC(C)C)c1N
InChIInChI=1S/C13H24N4O/c1-6-10-11(14)12(17(5)16-10)13(18)15-9(4)7-8(2)3/h8-9H,6-7,14H2,1-5H3,(H,15,18)
InChIKeyWEUJMXUPKWZCNX-UHFFFAOYSA-N
XLogP1.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2,2-difluoroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 115405271
4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
CID 107861753
4-amino-3-ethyl-1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide
CID 66116344
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66124147
4-amino-N-[1-(3-bromophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66123760
4-amino-3-ethyl-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
CID 66124158
4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide
CID 106006154
4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide
CID 66125494
4-amino-3-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-1-methylpyrazole-5-carboxamide
CID 66116760
4-amino-3-ethyl-N-(2-hydroxypropyl)-N,1-dimethylpyrazole-5-carboxamide
CID 66119069
4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 66123358
4-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122995

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide (CID 66122980) is 4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NC(C)CC(C)C)c1N.
What is the InChIKey of 4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide?
The InChIKey is WEUJMXUPKWZCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-10-11(14)12(17(5)16-10)13(18)15-9(4)7-8(2)3/h8-9H,6-7,14H2,1-5H3,(H,15,18).
What are the key properties of 4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide?
4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-1-methyl-N-(4-methylpentan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 66122980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).