N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide

C20H23N5OS — CID 72933390

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CCN(c4nccs4)CC3)cc2)n1
InChIInChI=1S/C20H23N5OS/c1-14-13-15(2)25(23-14)18-5-3-17(4-6-18)22-19(26)16-7-10-24(11-8-16)20-21-9-12-27-20/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,22,26)
InChIKeyCMCJHUINYJQFSY-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.80
Rot. Bonds4

About N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 72933390) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID72933390
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CCN(c4nccs4)CC3)cc2)n1
InChIInChI=1S/C20H23N5OS/c1-14-13-15(2)25(23-14)18-5-3-17(4-6-18)22-19(26)16-7-10-24(11-8-16)20-21-9-12-27-20/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,22,26)
InChIKeyCMCJHUINYJQFSY-UHFFFAOYSA-N
XLogP3.80
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 37037042
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide
CID 42244842
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(3-methylthiophene-2-carbonyl)piperidine-2-carboxamide
CID 24794128
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thian-4-yl)piperidine-2-carboxamide
CID 45235295
(2S)-1-(cyclopropylmethyl)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 42377399
(2R)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxyethyl)piperidine-2-carboxamide
CID 97280925
(2S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-2-carboxamide
CID 42566316
N-(3-chloro-4-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90514281
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazole-4-carbonyl)piperidine-2-carboxamide
CID 45201340
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide
CID 122300412
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 90514232
N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223264

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 72933390) is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(c4nccs4)CC3)cc2)n1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is CMCJHUINYJQFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-14-13-15(2)25(23-14)18-5-3-17(4-6-18)22-19(26)16-7-10-24(11-8-16)20-21-9-12-27-20/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,22,26).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 72933390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).