2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide

C10H14ClN3O — CID 166431958

IUPAC2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESO=C(CCl)NCc1[nH]ncc1C1CCC1
InChIInChI=1S/C10H14ClN3O/c11-4-10(15)12-6-9-8(5-13-14-9)7-2-1-3-7/h5,7H,1-4,6H2,(H,12,15)(H,13,14)
InChIKeySFOPWRASSJLBGM-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.53
Rot. Bonds4

About 2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide

2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide (PubChem CID 166431958) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide
PubChem CID166431958
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide
SMILESO=C(CCl)NCc1[nH]ncc1C1CCC1
InChIInChI=1S/C10H14ClN3O/c11-4-10(15)12-6-9-8(5-13-14-9)7-2-1-3-7/h5,7H,1-4,6H2,(H,12,15)(H,13,14)
InChIKeySFOPWRASSJLBGM-UHFFFAOYSA-N
XLogP1.53
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyclobutyl-1H-pyrazol-5-yl)acetic acid
CID 105422745
2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide
CID 166408399
2-(4-cycloheptyl-1H-pyrazol-5-yl)acetic acid
CID 105423374
2-[(4-cyclopentyl-1H-pyrazol-5-yl)methyl]piperidine
CID 115039853
6-[(4-cyclopropyl-1H-pyrazol-5-yl)methylamino]pyrimidine-4-carboxamide
CID 155965703
2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide
CID 166419507
N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide
CID 124638804
2-chloro-N-[(3-cyclopropyl-2-methylphenyl)methyl]acetamide
CID 166430876
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
4-(4-cyclobutyl-1H-pyrazol-5-yl)piperidine
CID 115024346
2-chloro-N-(2-cyclobutylethyl)acetamide
CID 115879965
4-chloro-5-cyclobutyl-1H-pyrazole
CID 119055024

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide (CID 166431958) is 2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide is O=C(CCl)NCc1[nH]ncc1C1CCC1.
What is the InChIKey of 2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide?
The InChIKey is SFOPWRASSJLBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-4-10(15)12-6-9-8(5-13-14-9)7-2-1-3-7/h5,7H,1-4,6H2,(H,12,15)(H,13,14).
What are the key properties of 2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide?
2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide has a molecular weight of 227.69 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-cyclobutyl-1H-pyrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 166431958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).