N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide

C17H18N6OS — CID 91789002

IUPACN-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1cc(-c2ccsc2)n[nH]1
InChIInChI=1S/C17H18N6OS/c24-16(15-9-14(21-22-15)12-4-8-25-11-12)20-13-3-1-7-23(10-13)17-18-5-2-6-19-17/h2,4-6,8-9,11,13H,1,3,7,10H2,(H,20,24)(H,21,22)
InChIKeyCGEGRWFBONRNCY-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.33
Rot. Bonds4

About N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide

N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 91789002) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
PubChem CID91789002
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC NameN-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1cc(-c2ccsc2)n[nH]1
InChIInChI=1S/C17H18N6OS/c24-16(15-9-14(21-22-15)12-4-8-25-11-12)20-13-3-1-7-23(10-13)17-18-5-2-6-19-17/h2,4-6,8-9,11,13H,1,3,7,10H2,(H,20,24)(H,21,22)
InChIKeyCGEGRWFBONRNCY-UHFFFAOYSA-N
XLogP2.33
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide
CID 60794005
1-oxo-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-2H-isoquinoline-3-carboxamide
CID 95580335
[(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 99971779
N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide
CID 43712323
[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 91788421
3-(4-methoxyphenyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 126442521
2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 71939760
N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 124620938
5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide
CID 125178549
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiophene-3-carboxamide
CID 129475720
[3-(2-methylphenyl)piperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 70757998
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 91887783

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide (CID 91789002) is N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide is O=C(NC1CCCN(c2ncccn2)C1)c1cc(-c2ccsc2)n[nH]1.
What is the InChIKey of N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is CGEGRWFBONRNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c24-16(15-9-14(21-22-15)12-4-8-25-11-12)20-13-3-1-7-23(10-13)17-18-5-2-6-19-17/h2,4-6,8-9,11,13H,1,3,7,10H2,(H,20,24)(H,21,22).
What are the key properties of N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide?
N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrimidin-2-ylpiperidin-3-yl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91789002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).