N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C20H26N4OS — CID 24790104

IUPACN-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCSc1cccc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)c1
InChIInChI=1S/C20H26N4OS/c1-26-18-4-2-3-15(13-18)14-23-11-8-17(9-12-23)24-19(7-10-21-24)22-20(25)16-5-6-16/h2-4,7,10,13,16-17H,5-6,8-9,11-12,14H2,1H3,(H,22,25)
InChIKeyWQUATQIWDLIJEF-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.79
Rot. Bonds6

About N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24790104) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24790104
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC NameN-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCSc1cccc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)c1
InChIInChI=1S/C20H26N4OS/c1-26-18-4-2-3-15(13-18)14-23-11-8-17(9-12-23)24-19(7-10-21-24)22-20(25)16-5-6-16/h2-4,7,10,13,16-17H,5-6,8-9,11-12,14H2,1H3,(H,22,25)
InChIKeyWQUATQIWDLIJEF-UHFFFAOYSA-N
XLogP3.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1-benzyl-4-piperidinyl)-1H-pyrazol-5-yl]-4-phenylbutanamide
CID 24790604
N-(1-{1-[(2E)-2-methyl-2-buten-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)-4-phenylbutanamide
CID 24790768
N-[2-[1-(4-isobutylbenzyl)-4-piperidyl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24791278
2-methyl-N-(1-{1-[4-(methylthio)benzyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24791730
N-(1-{1-[(dimethylamino)sulfonyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 24792053
N-[2-[1-(1-cyclohex-3-enylmethyl)-4-piperidinyl]-3-pyrazolyl]benzamide
CID 24792982
4-phenyl-N-{1-[1-(2-phenylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 24793152
N-(1-{1-[(2E)-2-methyl-2-buten-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 24794307
N-(1-{1-[4-(methylthio)benzyl]-4-piperidinyl}-1H-pyrazol-5-yl)-4-phenylbutanamide
CID 24817325
N-(1-{1-[3-(methylthio)propanoyl]-4-piperidinyl}-1H-pyrazol-5-yl)-4-phenylbutanamide
CID 24817749
N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 24817764
N-(1-{1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 24819002

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24790104) is N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is CSc1cccc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)c1.
What is the InChIKey of N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is WQUATQIWDLIJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-26-18-4-2-3-15(13-18)14-23-11-8-17(9-12-23)24-19(7-10-21-24)22-20(25)16-5-6-16/h2-4,7,10,13,16-17H,5-6,8-9,11-12,14H2,1H3,(H,22,25).
What are the key properties of N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 370.52 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24790104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).