N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-5-carboxamide

C14H15F3N6O — CID 91631405

IUPACN-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccn[nH]1
InChIInChI=1S/C14H15F3N6O/c15-14(16,17)11-7-12(19-8-18-11)23-5-2-9(3-6-23)21-13(24)10-1-4-20-22-10/h1,4,7-9H,2-3,5-6H2,(H,20,22)(H,21,24)
InChIKeyCSAHEWJWVFHJDQ-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.62
Rot. Bonds3

About N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-5-carboxamide

N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 91631405) has the molecular formula C14H15F3N6O and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID91631405
Molecular FormulaC14H15F3N6O
Molecular Weight340.31 g/mol
Exact Mass340.13
IUPAC NameN-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccn[nH]1
InChIInChI=1S/C14H15F3N6O/c15-14(16,17)11-7-12(19-8-18-11)23-5-2-9(3-6-23)21-13(24)10-1-4-20-22-10/h1,4,7-9H,2-3,5-6H2,(H,20,22)(H,21,24)
InChIKeyCSAHEWJWVFHJDQ-UHFFFAOYSA-N
XLogP1.62
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-Ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6465535
(2-Methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770296
US9663526, Example 2
CID 118878202
US9932325, Example 130
CID 132244703
N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
CID 169686116
(5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20906482
1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 51084988
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779749
(2-methylpyrimidin-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 72121332
1H-pyrazol-5-yl-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72145740
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1H-pyrazole-5-carboxamide
CID 72149716
2,4,5,8,15,17,20-Heptazatricyclo[14.3.1.13,6]henicosa-1(20),3,6(21),16,18-pentaen-7-one
CID 171353921

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 91631405) is N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-5-carboxamide is O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccn[nH]1.
What is the InChIKey of N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is CSAHEWJWVFHJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O/c15-14(16,17)11-7-12(19-8-18-11)23-5-2-9(3-6-23)21-13(24)10-1-4-20-22-10/h1,4,7-9H,2-3,5-6H2,(H,20,22)(H,21,24).
What are the key properties of N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91631405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).