2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide

C14H14ClN3O — CID 2778369

IUPAC2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
SMILESO=C(CCl)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C14H14ClN3O/c15-9-14(19)16-13-8-12(10-6-7-10)17-18(13)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,16,19)
InChIKeyLUHGBZCKARJBRO-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.93
Rot. Bonds4

About 2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide

2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide (PubChem CID 2778369) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
PubChem CID2778369
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
SMILESO=C(CCl)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C14H14ClN3O/c15-9-14(19)16-13-8-12(10-6-7-10)17-18(13)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,16,19)
InChIKeyLUHGBZCKARJBRO-UHFFFAOYSA-N
XLogP2.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119268734
2-(4-aminophenyl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide
CID 119684822
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 111543790
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide
CID 71943773
3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide
CID 134797164
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 37206869
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 110906782
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-(difluoromethylsulfonyl)phenyl]acetamide
CID 146148119
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 55551550
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-propan-2-yloxypropanamide
CID 112819311
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 55552560
4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122074917

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide?
The IUPAC name of 2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide (CID 2778369) is 2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide is O=C(CCl)Nc1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of 2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide?
The InChIKey is LUHGBZCKARJBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-9-14(19)16-13-8-12(10-6-7-10)17-18(13)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,16,19).
What are the key properties of 2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide?
2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide has a molecular weight of 275.74 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 2778369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).