1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine

C18H22F3N5 — CID 171789431

IUPAC1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCC1(C)C=C(c2c(C(F)(F)F)nn(-c3ncccn3)c2N)CC(C)(C)C1
InChIInChI=1S/C18H22F3N5/c1-16(2)8-11(9-17(3,4)10-16)12-13(18(19,20)21)25-26(14(12)22)15-23-6-5-7-24-15/h5-8H,9-10,22H2,1-4H3
InChIKeyZFIJUFPYCWZCMF-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.49
Rot. Bonds2

About 1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine

1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 171789431) has the molecular formula C18H22F3N5 and a molecular weight of 365.40 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID171789431
Molecular FormulaC18H22F3N5
Molecular Weight365.40 g/mol
Exact Mass365.18
IUPAC Name1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCC1(C)C=C(c2c(C(F)(F)F)nn(-c3ncccn3)c2N)CC(C)(C)C1
InChIInChI=1S/C18H22F3N5/c1-16(2)8-11(9-17(3,4)10-16)12-13(18(19,20)21)25-26(14(12)22)15-23-6-5-7-24-15/h5-8H,9-10,22H2,1-4H3
InChIKeyZFIJUFPYCWZCMF-UHFFFAOYSA-N
XLogP4.49
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-amino-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]-4,4-dimethylcyclohex-2-en-1-one
CID 171789319
4-(4-bromophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 24849170
4-(4-propylcyclohexen-1-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 171789366
4-(3-methyl-1,2-oxazol-4-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 171789288
4-(3,4-dichlorophenyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 66875265
4-(2,5-dichlorothiophen-3-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 171789232
4-(piperidin-4-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 171789316
4-(6-chloro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 171789237
4-(1,4-dioxaspiro[4.5]decan-8-ylidenemethyl)-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 171789353
(Z)-3-[3-[5-amino-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]thiophen-2-yl]-1-cyclopropylprop-2-en-1-one
CID 171789272
methyl 3-[5-amino-1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate
CID 171789291
3-ethylsulfinyl-1-pyrimidin-2-yl-4-[5-(trifluoromethyl)thiophen-2-yl]pyrazol-5-amine
CID 171789223

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine (CID 171789431) is 1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine is CC1(C)C=C(c2c(C(F)(F)F)nn(-c3ncccn3)c2N)CC(C)(C)C1.
What is the InChIKey of 1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is ZFIJUFPYCWZCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5/c1-16(2)8-11(9-17(3,4)10-16)12-13(18(19,20)21)25-26(14(12)22)15-23-6-5-7-24-15/h5-8H,9-10,22H2,1-4H3.
What are the key properties of 1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine?
1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 365.40 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-yl-4-(3,3,5,5-tetramethylcyclohexen-1-yl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 171789431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).