3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide

C20H26N4OS — CID 74237167

IUPAC3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(C2CCSCC2)CC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H26N4OS/c25-20(19-14-18(22-23-19)15-4-2-1-3-5-15)21-16-6-10-24(11-7-16)17-8-12-26-13-9-17/h1-5,14,16-17H,6-13H2,(H,21,25)(H,22,23)
InChIKeyRNFCMKYCEDBEQZ-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.17
Rot. Bonds4

About 3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide

3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 74237167) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID74237167
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(C2CCSCC2)CC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H26N4OS/c25-20(19-14-18(22-23-19)15-4-2-1-3-5-15)21-16-6-10-24(11-7-16)17-8-12-26-13-9-17/h1-5,14,16-17H,6-13H2,(H,21,25)(H,22,23)
InChIKeyRNFCMKYCEDBEQZ-UHFFFAOYSA-N
XLogP3.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-2-yl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 74246648
N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 122590866
N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 120599049
3-phenyl-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 90633193
3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide
CID 9247830
N-(1-cyclopropylpiperidin-4-yl)-4-phenylbenzamide
CID 26131227
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 24503448
N-[1-(thian-4-yl)piperidin-4-yl]quinoxaline-6-carboxamide
CID 74234094
N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514437
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 98783386
N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889054
3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 121142755

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 74237167) is 3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is O=C(NC1CCN(C2CCSCC2)CC1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is RNFCMKYCEDBEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c25-20(19-14-18(22-23-19)15-4-2-1-3-5-15)21-16-6-10-24(11-7-16)17-8-12-26-13-9-17/h1-5,14,16-17H,6-13H2,(H,21,25)(H,22,23).
What are the key properties of 3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-(thian-4-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 74237167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).