4-amino-5-ethyl-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide

C15H28N4O — CID 79483925

IUPAC4-amino-5-ethyl-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(CC(C)C)C(CC)CC)c1N
InChIInChI=1S/C15H28N4O/c1-6-11(7-2)19(9-10(4)5)15(20)14-13(16)12(8-3)17-18-14/h10-11H,6-9,16H2,1-5H3,(H,17,18)
InChIKeyCUGQWJSBVJRHJS-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.84
Rot. Bonds7

About 4-amino-5-ethyl-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide (PubChem CID 79483925) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide
PubChem CID79483925
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name4-amino-5-ethyl-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(CC(C)C)C(CC)CC)c1N
InChIInChI=1S/C15H28N4O/c1-6-11(7-2)19(9-10(4)5)15(20)14-13(16)12(8-3)17-18-14/h10-11H,6-9,16H2,1-5H3,(H,17,18)
InChIKeyCUGQWJSBVJRHJS-UHFFFAOYSA-N
XLogP2.84
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-ethyl-N-(2-methoxyethyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide
CID 62081656
4-amino-N-(2-methylpropyl)-N-propan-2-yl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075785
4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide
CID 79488575
4-amino-5-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
CID 106913881
4-amino-N-[2-(dimethylamino)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 63694755
4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62080934
4-amino-5-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62080802
4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075783
4-amino-N-butyl-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 62081799
4-amino-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazole-3-carboxamide
CID 79483753
methyl 2-[(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955204
4-amino-5-ethyl-N-(3-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
CID 62080976

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide (CID 79483925) is 4-amino-5-ethyl-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N(CC(C)C)C(CC)CC)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide?
The InChIKey is CUGQWJSBVJRHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-11(7-2)19(9-10(4)5)15(20)14-13(16)12(8-3)17-18-14/h10-11H,6-9,16H2,1-5H3,(H,17,18).
What are the key properties of 4-amino-5-ethyl-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-(2-methylpropyl)-N-pentan-3-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 79483925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).