5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

C14H19N5OS — CID 75373898

IUPAC5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1ncc(CN2CCCC(c3cc(C(N)=O)n[nH]3)C2)s1
InChIInChI=1S/C14H19N5OS/c1-9-16-6-11(21-9)8-19-4-2-3-10(7-19)12-5-13(14(15)20)18-17-12/h5-6,10H,2-4,7-8H2,1H3,(H2,15,20)(H,17,18)
InChIKeyIFKQOZLESFMYEY-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.65
Rot. Bonds4

About 5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 75373898) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID75373898
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1ncc(CN2CCCC(c3cc(C(N)=O)n[nH]3)C2)s1
InChIInChI=1S/C14H19N5OS/c1-9-16-6-11(21-9)8-19-4-2-3-10(7-19)12-5-13(14(15)20)18-17-12/h5-6,10H,2-4,7-8H2,1H3,(H2,15,20)(H,17,18)
InChIKeyIFKQOZLESFMYEY-UHFFFAOYSA-N
XLogP1.65
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US10022354, Example 81
CID 121279585
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 45809031
5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide
CID 71875704
5-[1-[3-(1,3-thiazol-4-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71926909
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72135950
[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 72145425
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145439
(4-Methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 97388961
N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461840
3-(1-(2,4-dimethylthiazole-5-carbonyl)piperidin-2-yl)-1H-pyrazole-5-carboxamide
CID 91628810
N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 97115981
5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217745

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 75373898) is 5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is Cc1ncc(CN2CCCC(c3cc(C(N)=O)n[nH]3)C2)s1.
What is the InChIKey of 5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is IFKQOZLESFMYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-9-16-6-11(21-9)8-19-4-2-3-10(7-19)12-5-13(14(15)20)18-17-12/h5-6,10H,2-4,7-8H2,1H3,(H2,15,20)(H,17,18).
What are the key properties of 5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 75373898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).