1-ethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide

C16H19F3N6O — CID 91631411

IUPAC1-ethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1
InChIInChI=1S/C16H19F3N6O/c1-2-25-8-5-12(23-25)15(26)22-11-3-6-24(7-4-11)14-9-13(16(17,18)19)20-10-21-14/h5,8-11H,2-4,6-7H2,1H3,(H,22,26)
InChIKeySRBCATPAESIDFJ-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.11
Rot. Bonds4

About 1-ethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide

1-ethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 91631411) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is 1-ethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide
PubChem CID91631411
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC Name1-ethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1
InChIInChI=1S/C16H19F3N6O/c1-2-25-8-5-12(23-25)15(26)22-11-3-6-24(7-4-11)14-9-13(16(17,18)19)20-10-21-14/h5,8-11H,2-4,6-7H2,1H3,(H,22,26)
InChIKeySRBCATPAESIDFJ-UHFFFAOYSA-N
XLogP2.11
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[ethyl(methyl)amino]-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548292
(1,5-dimethyl-1H-pyrazol-3-yl)[4-(2-pyrimidinyl)piperazino]methanone
CID 2738510
(1-Ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6465535
US10093651, Example 2
CID 122632282
(2-Methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770296
[(2S,3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(1,5-dimethyl-4-pyrimidin-2-ylpyrazol-3-yl)methanone
CID 130298623
US9663526, Example 2
CID 118878202
US9932325, Example 130
CID 132244703
N-[3-[[2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 145900909
2-(2-iodo-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-pyrimidin-4-ylacetamide
CID 166518398
N-(4,4-difluorocyclohexyl)-2-imidazol-1-ylpyrimidine-4-carboxamide
CID 169686116
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1-methyl-1H-pyrazole-5-carboxamide
CID 91911067

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide (CID 91631411) is 1-ethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide is CCn1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)n1.
What is the InChIKey of 1-ethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is SRBCATPAESIDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c1-2-25-8-5-12(23-25)15(26)22-11-3-6-24(7-4-11)14-9-13(16(17,18)19)20-10-21-14/h5,8-11H,2-4,6-7H2,1H3,(H,22,26).
What are the key properties of 1-ethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide?
1-ethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 91631411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).