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

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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).