2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide

C24H27N3O2 — CID 86971711

IUPAC2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccccc1OC1CCC1
InChIInChI=1S/C24H27N3O2/c1-18-19(17-27(26-18)20-10-3-2-4-11-20)9-8-16-25-24(28)22-14-5-6-15-23(22)29-21-12-7-13-21/h2-6,10-11,14-15,17,21H,7-9,12-13,16H2,1H3,(H,25,28)
InChIKeyHMGVSQNRHKDDEE-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.47
Rot. Bonds8

About 2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide

2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide (PubChem CID 86971711) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
PubChem CID86971711
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
SMILESCc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccccc1OC1CCC1
InChIInChI=1S/C24H27N3O2/c1-18-19(17-27(26-18)20-10-3-2-4-11-20)9-8-16-25-24(28)22-14-5-6-15-23(22)29-21-12-7-13-21/h2-6,10-11,14-15,17,21H,7-9,12-13,16H2,1H3,(H,25,28)
InChIKeyHMGVSQNRHKDDEE-UHFFFAOYSA-N
XLogP4.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[2-[3-(3-methyl-1-phenylpyrazol-4-yl)propylamino]-2-oxoethyl]benzamide
CID 46426764
4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1H-pyrrole-3-carboxamide
CID 122131967
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 55721874
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]quinoline-8-carboxamide
CID 71685784
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-propan-2-ylsulfonylbenzamide
CID 55933539
3,5-dimethoxy-4-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 55644256
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55932656
2-(2-cyanophenyl)sulfanyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide
CID 60545040
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 46426573
3,6-dichloro-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]pyridine-2-carboxamide
CID 46473562
N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 60511426
2-cyclobutyloxy-N-(3-hydroxybutyl)benzamide
CID 111433576

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide?
The IUPAC name of 2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide (CID 86971711) is 2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide is Cc1nn(-c2ccccc2)cc1CCCNC(=O)c1ccccc1OC1CCC1.
What is the InChIKey of 2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide?
The InChIKey is HMGVSQNRHKDDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-18-19(17-27(26-18)20-10-3-2-4-11-20)9-8-16-25-24(28)22-14-5-6-15-23(22)29-21-12-7-13-21/h2-6,10-11,14-15,17,21H,7-9,12-13,16H2,1H3,(H,25,28).
What are the key properties of 2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide?
2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide has a molecular weight of 389.50 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 86971711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).