N-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide

C17H23N3OS — CID 175644633

IUPACN-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NC1CCC(n2cccn2)CC1
InChIInChI=1S/C17H23N3OS/c21-17(6-1-4-16-5-2-13-22-16)19-14-7-9-15(10-8-14)20-12-3-11-18-20/h2-3,5,11-15H,1,4,6-10H2,(H,19,21)
InChIKeyXENFLDLOGATXCC-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.57
Rot. Bonds6

About N-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide

N-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide (PubChem CID 175644633) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide
PubChem CID175644633
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NC1CCC(n2cccn2)CC1
InChIInChI=1S/C17H23N3OS/c21-17(6-1-4-16-5-2-13-22-16)19-14-7-9-15(10-8-14)20-12-3-11-18-20/h2-3,5,11-15H,1,4,6-10H2,(H,19,21)
InChIKeyXENFLDLOGATXCC-UHFFFAOYSA-N
XLogP3.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-yl)-4-thiophen-2-ylbutanamide
CID 70313728
N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 18163646
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-thiophen-2-ylpentanamide
CID 141223800
N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide
CID 78791745
3-(4-thiophen-2-ylbutanoylamino)cyclohexane-1-carboxylic acid
CID 63042020
cis-(1R,3S)-3-(6-thiophen-2-ylhexanoylamino)cyclopentane-1-carboxylic acid
CID 120677312
N-cyclopropyl-4-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]butanamide
CID 111348850
N-(1-propan-2-ylpiperidin-4-yl)-3-thiophen-2-ylpropanamide
CID 110751959
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
CID 110719746
methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate
CID 110821759
N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide
CID 103751345
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 134047770

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide (CID 175644633) is N-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NC1CCC(n2cccn2)CC1.
What is the InChIKey of N-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide?
The InChIKey is XENFLDLOGATXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c21-17(6-1-4-16-5-2-13-22-16)19-14-7-9-15(10-8-14)20-12-3-11-18-20/h2-3,5,11-15H,1,4,6-10H2,(H,19,21).
What are the key properties of N-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide?
N-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide has a molecular weight of 317.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 175644633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).