N-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide

C18H19N3OS — CID 134035986

IUPACN-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H19N3OS/c22-18(10-4-8-17-9-5-11-23-17)19-12-15-13-20-21(14-15)16-6-2-1-3-7-16/h1-3,5-7,9,11,13-14H,4,8,10,12H2,(H,19,22)
InChIKeyZAJPZBLEURRJKW-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.57
Rot. Bonds7

About N-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide

N-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide (PubChem CID 134035986) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
PubChem CID134035986
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H19N3OS/c22-18(10-4-8-17-9-5-11-23-17)19-12-15-13-20-21(14-15)16-6-2-1-3-7-16/h1-3,5-7,9,11,13-14H,4,8,10,12H2,(H,19,22)
InChIKeyZAJPZBLEURRJKW-UHFFFAOYSA-N
XLogP3.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243
N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 46465242
N-[[4-(bromomethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 107233721
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 31544557
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenoxybutanamide
CID 86968573
3-(2-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 30341574
N-[(1-phenylpyrazol-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 60718562
N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide
CID 110297704
N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide (CID 134035986) is N-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide?
The InChIKey is ZAJPZBLEURRJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c22-18(10-4-8-17-9-5-11-23-17)19-12-15-13-20-21(14-15)16-6-2-1-3-7-16/h1-3,5-7,9,11,13-14H,4,8,10,12H2,(H,19,22).
What are the key properties of N-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide?
N-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide has a molecular weight of 325.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 134035986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).