N-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide

C13H23N3O2 — CID 61448255

IUPACN-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide
SMILESCCCCN(CCO)C(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C13H23N3O2/c1-4-5-6-16(7-8-17)13(18)9-12-10(2)14-15-11(12)3/h17H,4-9H2,1-3H3,(H,14,15)
InChIKeyIIXVACQMNMZKGC-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.19
Rot. Bonds7

About N-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide

N-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 61448255) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID61448255
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide
SMILESCCCCN(CCO)C(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C13H23N3O2/c1-4-5-6-16(7-8-17)13(18)9-12-10(2)14-15-11(12)3/h17H,4-9H2,1-3H3,(H,14,15)
InChIKeyIIXVACQMNMZKGC-UHFFFAOYSA-N
XLogP1.19
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-hydroxyethyl)urea
CID 111111777
N-butyl-N-(2-hydroxyethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 60742837
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 164640998
N-butyl-N-(2-hydroxyethyl)-2-methoxyacetamide
CID 20697100
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)acetamide
CID 74234591
N-butyl-N-(2-hydroxyethyl)-2-(2-hydroxyphenyl)acetamide
CID 80741482
N-butyl-N-(2-hydroxyethyl)-2-(4-sulfanylphenyl)acetamide
CID 107024746
ethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate
CID 61021953
methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]acetate
CID 43422778
ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoate
CID 23005991
N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide
CID 108509852
N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 110685526

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide (CID 61448255) is N-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide is CCCCN(CCO)C(=O)Cc1c(C)n[nH]c1C.
What is the InChIKey of N-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is IIXVACQMNMZKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-5-6-16(7-8-17)13(18)9-12-10(2)14-15-11(12)3/h17H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide?
N-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 253.35 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 61448255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).