4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide

C12H22N4O2 — CID 114152424

IUPAC4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NC(C)(CC)CCO)n1
InChIInChI=1S/C12H22N4O2/c1-4-12(3,6-7-17)14-11(18)10-9(13)8-16(5-2)15-10/h8,17H,4-7,13H2,1-3H3,(H,14,18)
InChIKeyGTLIKTZNQGEDEI-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.77
Rot. Bonds6

About 4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide

4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide (PubChem CID 114152424) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide
PubChem CID114152424
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NC(C)(CC)CCO)n1
InChIInChI=1S/C12H22N4O2/c1-4-12(3,6-7-17)14-11(18)10-9(13)8-16(5-2)15-10/h8,17H,4-7,13H2,1-3H3,(H,14,18)
InChIKeyGTLIKTZNQGEDEI-UHFFFAOYSA-N
XLogP0.77
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 106139430
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65363321
1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-4-carboxamide
CID 75498992
4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide
CID 104827278
4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide
CID 114098963
4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65359220
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide
CID 114615025
4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 107229536
4-amino-1-ethyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrazole-3-carboxamide
CID 79248411
4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164060
4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide
CID 106308600

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide (CID 114152424) is 4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NC(C)(CC)CCO)n1.
What is the InChIKey of 4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide?
The InChIKey is GTLIKTZNQGEDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-12(3,6-7-17)14-11(18)10-9(13)8-16(5-2)15-10/h8,17H,4-7,13H2,1-3H3,(H,14,18).
What are the key properties of 4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide?
4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 114152424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).