2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide

C20H27N3O — CID 112771337

IUPAC2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide
SMILESCCCCc1ccc(CC(=O)Nc2ccnn2C(C)C2CC2)cc1
InChIInChI=1S/C20H27N3O/c1-3-4-5-16-6-8-17(9-7-16)14-20(24)22-19-12-13-21-23(19)15(2)18-10-11-18/h6-9,12-13,15,18H,3-5,10-11,14H2,1-2H3,(H,22,24)
InChIKeyPWLSWHJQRSDUOA-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.38
Rot. Bonds8

About 2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide

2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide (PubChem CID 112771337) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide
PubChem CID112771337
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide
SMILESCCCCc1ccc(CC(=O)Nc2ccnn2C(C)C2CC2)cc1
InChIInChI=1S/C20H27N3O/c1-3-4-5-16-6-8-17(9-7-16)14-20(24)22-19-12-13-21-23(19)15(2)18-10-11-18/h6-9,12-13,15,18H,3-5,10-11,14H2,1-2H3,(H,22,24)
InChIKeyPWLSWHJQRSDUOA-UHFFFAOYSA-N
XLogP4.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 112761634
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide
CID 112761641
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 112761644
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1-ethylindol-3-yl)acetamide
CID 71881201
3-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911922
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 95625489
N-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide
CID 55830518
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 112761610
N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide
CID 97310300
2-(4-chlorophenoxy)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]acetamide
CID 29339507
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 112761506
N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 98271516

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide (CID 112771337) is 2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide is CCCCc1ccc(CC(=O)Nc2ccnn2C(C)C2CC2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide?
The InChIKey is PWLSWHJQRSDUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-4-5-16-6-8-17(9-7-16)14-20(24)22-19-12-13-21-23(19)15(2)18-10-11-18/h6-9,12-13,15,18H,3-5,10-11,14H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide?
2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide has a molecular weight of 325.46 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 112771337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).