4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide

C13H24N4O2 — CID 106139430

IUPAC4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCC(C)(C)CCCO)n1
InChIInChI=1S/C13H24N4O2/c1-4-17-8-10(14)11(16-17)12(19)15-9-13(2,3)6-5-7-18/h8,18H,4-7,9,14H2,1-3H3,(H,15,19)
InChIKeyKNRLZRMVLKFECX-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.01
Rot. Bonds7

About 4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide

4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide (PubChem CID 106139430) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
PubChem CID106139430
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCC(C)(C)CCCO)n1
InChIInChI=1S/C13H24N4O2/c1-4-17-8-10(14)11(16-17)12(19)15-9-13(2,3)6-5-7-18/h8,18H,4-7,9,14H2,1-3H3,(H,15,19)
InChIKeyKNRLZRMVLKFECX-UHFFFAOYSA-N
XLogP1.01
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(5-hydroxy-2,2-dimethylpentyl)-1-methylpyrazole-3-carboxamide
CID 106139412
4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65363321
4-amino-1-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)pyrazole-3-carboxamide
CID 114152424
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
4-amino-1-ethyl-N-(2,2,3-trimethylbutyl)pyrazole-3-carboxamide
CID 114098963
4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyrazole-3-carboxamide
CID 106308600
4-amino-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazole-3-carboxamide
CID 104827278
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-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
CID 65358786
4-amino-1-ethyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65359220
4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide
CID 106899160

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide (CID 106139430) is 4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NCC(C)(C)CCCO)n1.
What is the InChIKey of 4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide?
The InChIKey is KNRLZRMVLKFECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-17-8-10(14)11(16-17)12(19)15-9-13(2,3)6-5-7-18/h8,18H,4-7,9,14H2,1-3H3,(H,15,19).
What are the key properties of 4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide?
4-amino-1-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 1.01, 7 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-(5-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide is sourced from PubChem (CID 106139430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).