4-(cyclopropylmethoxy)-2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine

C14H15F3N4O — CID 144632594

IUPAC4-(cyclopropylmethoxy)-2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine
SMILESCc1ncc(-c2cn(C)nc2C(F)(F)F)c(OCC2CC2)n1
InChIInChI=1S/C14H15F3N4O/c1-8-18-5-10(13(19-8)22-7-9-3-4-9)11-6-21(2)20-12(11)14(15,16)17/h5-6,9H,3-4,7H2,1-2H3
InChIKeyZUPABRQOWFLORL-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.99
Rot. Bonds4

About 4-(cyclopropylmethoxy)-2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine

4-(cyclopropylmethoxy)-2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine (PubChem CID 144632594) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine
PubChem CID144632594
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name4-(cyclopropylmethoxy)-2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine
SMILESCc1ncc(-c2cn(C)nc2C(F)(F)F)c(OCC2CC2)n1
InChIInChI=1S/C14H15F3N4O/c1-8-18-5-10(13(19-8)22-7-9-3-4-9)11-6-21(2)20-12(11)14(15,16)17/h5-6,9H,3-4,7H2,1-2H3
InChIKeyZUPABRQOWFLORL-UHFFFAOYSA-N
XLogP2.99
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylmethoxy)-2-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidine
CID 144632491
3-(cyclopropylmethoxy)-1-methylpyrazol-4-amine
CID 103079090
5-(4-ethylcyclohexyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,2,4-oxadiazole
CID 139009690
4-fluoro-5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzonitrile
CID 121385794
2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
CID 123958246
4-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]benzoic acid;quinoline
CID 144632681
4-[4-(cyclopropylmethoxy)-2-methylpyrimidin-5-yl]benzoic acid;3-methoxypyridine
CID 144632553
N-[3-(cyclopropylmethoxy)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008797
1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine
CID 103079156
4-(cyclopropylmethoxymethoxy)-1-methylpyrazole
CID 106931222
N-[(4-ethylcyclohexyl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 48861592
2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873515

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine?
The IUPAC name of 4-(cyclopropylmethoxy)-2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine (CID 144632594) is 4-(cyclopropylmethoxy)-2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine.
What is the SMILES notation for 4-(cyclopropylmethoxy)-2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine?
The canonical SMILES for 4-(cyclopropylmethoxy)-2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine is Cc1ncc(-c2cn(C)nc2C(F)(F)F)c(OCC2CC2)n1.
What is the InChIKey of 4-(cyclopropylmethoxy)-2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine?
The InChIKey is ZUPABRQOWFLORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-8-18-5-10(13(19-8)22-7-9-3-4-9)11-6-21(2)20-12(11)14(15,16)17/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of 4-(cyclopropylmethoxy)-2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine?
4-(cyclopropylmethoxy)-2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine has a molecular weight of 312.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine is sourced from PubChem (CID 144632594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).