4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C14H15F4N5 — CID 135374556

IUPAC4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1c(Nc2ncc(C(F)(F)F)c(C3CC3)n2)cnn1CCF
InChIInChI=1S/C14H15F4N5/c1-8-11(7-20-23(8)5-4-15)21-13-19-6-10(14(16,17)18)12(22-13)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,19,21,22)
InChIKeyTWCNRBYMPXJFIU-UHFFFAOYSA-N
MW329.30 g/mol
LogP3.59
Rot. Bonds5

About 4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine

4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 135374556) has the molecular formula C14H15F4N5 and a molecular weight of 329.30 g/mol. Its IUPAC name is 4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID135374556
Molecular FormulaC14H15F4N5
Molecular Weight329.30 g/mol
Exact Mass329.13
IUPAC Name4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1c(Nc2ncc(C(F)(F)F)c(C3CC3)n2)cnn1CCF
InChIInChI=1S/C14H15F4N5/c1-8-11(7-20-23(8)5-4-15)21-13-19-6-10(14(16,17)18)12(22-13)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,19,21,22)
InChIKeyTWCNRBYMPXJFIU-UHFFFAOYSA-N
XLogP3.59
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-3-[5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 69093123
4-N-methyl-2-N-[5-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093112
[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-3-yl]methanol
CID 140943461
2-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 145419887
(3R)-3-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]-3-methylpyrrolidin-2-one
CID 140943563
4-N-ethyl-2-N-[5-methyl-1-[(2R)-2-methylcyclopropyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 146606154
2-N-[1-[(2R)-2-(difluoromethoxy)propyl]-5-methylpyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 135374813
4-butanimidoyl-N-(1,5-dimethylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 175279886
4-N-methyl-2-N-[5-methyl-1-[(1R,3R)-3-(triazol-2-yl)cyclopentyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 140943577
2-N-[3-cyclopropyl-1-[(1S,2R)-2-methylcyclopropyl]pyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 146606632
(2S)-2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]cyclopropane-1-carbonitrile
CID 146606155
5-chloro-4-cyclopropyl-N-[1-(1,3-difluoropropan-2-yl)-5-methylpyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 140943281

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 135374556) is 4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine is Cc1c(Nc2ncc(C(F)(F)F)c(C3CC3)n2)cnn1CCF.
What is the InChIKey of 4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is TWCNRBYMPXJFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4N5/c1-8-11(7-20-23(8)5-4-15)21-13-19-6-10(14(16,17)18)12(22-13)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,19,21,22).
What are the key properties of 4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 329.30 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 135374556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).