5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine

C21H23FN4O — CID 118430504

IUPAC5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
SMILESCc1c(Cc2ccccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cn1
InChIInChI=1S/C21H23FN4O/c1-13(2)27-20-18(10-16-6-4-5-7-19(16)22)14(3)26(25-20)21-23-11-17(12-24-21)15-8-9-15/h4-7,11-13,15H,8-10H2,1-3H3
InChIKeyHNZNVWVVPQVTKE-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.37
Rot. Bonds6

About 5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine

5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine (PubChem CID 118430504) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
PubChem CID118430504
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine
SMILESCc1c(Cc2ccccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cn1
InChIInChI=1S/C21H23FN4O/c1-13(2)27-20-18(10-16-6-4-5-7-19(16)22)14(3)26(25-20)21-23-11-17(12-24-21)15-8-9-15/h4-7,11-13,15H,8-10H2,1-3H3
InChIKeyHNZNVWVVPQVTKE-UHFFFAOYSA-N
XLogP4.37
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine?
The IUPAC name of 5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine (CID 118430504) is 5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine.
What is the SMILES notation for 5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine?
The canonical SMILES for 5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine is Cc1c(Cc2ccccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cn1.
What is the InChIKey of 5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine?
The InChIKey is HNZNVWVVPQVTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-13(2)27-20-18(10-16-6-4-5-7-19(16)22)14(3)26(25-20)21-23-11-17(12-24-21)15-8-9-15/h4-7,11-13,15H,8-10H2,1-3H3.
What are the key properties of 5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine?
5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine has a molecular weight of 366.44 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyrimidine is sourced from PubChem (CID 118430504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).