5-(1H-pyrazol-4-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine

C19H18F3N5O — CID 141215372

IUPAC5-(1H-pyrazol-4-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine
SMILESFC(F)(F)c1ccccc1OC1CCN(c2ncc(-c3cn[nH]c3)cn2)CC1
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)16-3-1-2-4-17(16)28-15-5-7-27(8-6-15)18-23-9-13(10-24-18)14-11-25-26-12-14/h1-4,9-12,15H,5-8H2,(H,25,26)
InChIKeyHKITYYSVPCPTCZ-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.93
Rot. Bonds4

About 5-(1H-pyrazol-4-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine

5-(1H-pyrazol-4-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine (PubChem CID 141215372) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-(1H-pyrazol-4-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine
PubChem CID141215372
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC Name5-(1H-pyrazol-4-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine
SMILESFC(F)(F)c1ccccc1OC1CCN(c2ncc(-c3cn[nH]c3)cn2)CC1
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)16-3-1-2-4-17(16)28-15-5-7-27(8-6-15)18-23-9-13(10-24-18)14-11-25-26-12-14/h1-4,9-12,15H,5-8H2,(H,25,26)
InChIKeyHKITYYSVPCPTCZ-UHFFFAOYSA-N
XLogP3.93
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 163322400
5-[(2R)-2-[5-fluoro-2-(2-fluoroethoxy)phenyl]pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 168287199
5-[(2R)-2-[2-(2,2-difluoroethoxy)-5-fluorophenyl]pyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 168293042
3-(1H-Imidazol-1-yl)-6-{4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl}pyridazine
CID 16042459
6-[4-[2-amino-1-[4-(trifluoromethoxy)phenyl]ethyl]piperazin-1-yl]-5-(1H-pyrazol-4-yl)pyrimidin-4-amine
CID 71516559
4-N-cyclohexyl-2-N-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 142748500
6-[4-[2-(azetidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazin-1-yl]-5-(1H-pyrazol-4-yl)pyrimidin-4-amine
CID 89446797
6-[4-[2-(azetidin-1-yl)-1-[4-fluoro-3-(trifluoromethoxy)phenyl]ethyl]piperazin-1-yl]-5-(1H-pyrazol-4-yl)pyrimidin-4-amine
CID 89446825
4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyrimidine
CID 177374957
16-(Piperidin-4-ylmethyl)-20-propan-2-yl-10-oxa-2,16,18,22,23,24-hexazatetracyclo[15.6.1.04,9.019,23]tetracosa-1(24),4,6,8,17,19,21-heptaene
CID 177382856
17-(Piperidin-4-ylmethyl)-21-propan-2-yl-10-oxa-2,17,19,23,24,25-hexazatetracyclo[16.6.1.04,9.020,24]pentacosa-1(25),4,6,8,18,20,22-heptaene
CID 177382857
1'-Methyl-22-propan-2-ylspiro[10-oxa-2,18,20,24,25,26-hexazatetracyclo[17.6.1.04,9.021,25]hexacosa-1(26),4,6,8,19,21,23-heptaene-16,4'-piperidine]
CID 177382875

Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-4-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine?
The IUPAC name of 5-(1H-pyrazol-4-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine (CID 141215372) is 5-(1H-pyrazol-4-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-(1H-pyrazol-4-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-(1H-pyrazol-4-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine is FC(F)(F)c1ccccc1OC1CCN(c2ncc(-c3cn[nH]c3)cn2)CC1.
What is the InChIKey of 5-(1H-pyrazol-4-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine?
The InChIKey is HKITYYSVPCPTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c20-19(21,22)16-3-1-2-4-17(16)28-15-5-7-27(8-6-15)18-23-9-13(10-24-18)14-11-25-26-12-14/h1-4,9-12,15H,5-8H2,(H,25,26).
What are the key properties of 5-(1H-pyrazol-4-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine?
5-(1H-pyrazol-4-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine has a molecular weight of 389.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-4-yl)-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 141215372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).