N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C22H24FN5O2 — CID 90634609

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)n1
InChIInChI=1S/C22H24FN5O2/c1-13-11-14(2)25-22(24-13)30-18-9-7-17(8-10-18)26-21(29)20-12-19(27-28-20)15-3-5-16(23)6-4-15/h3-6,11-12,17-18H,7-10H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyOOFGVIQSZJJIQN-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.74
Rot. Bonds5

About N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 90634609) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID90634609
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)n1
InChIInChI=1S/C22H24FN5O2/c1-13-11-14(2)25-22(24-13)30-18-9-7-17(8-10-18)26-21(29)20-12-19(27-28-20)15-3-5-16(23)6-4-15/h3-6,11-12,17-18H,7-10H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyOOFGVIQSZJJIQN-UHFFFAOYSA-N
XLogP3.74
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 90634609) is N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is Cc1cc(C)nc(OC2CCC(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is OOFGVIQSZJJIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-13-11-14(2)25-22(24-13)30-18-9-7-17(8-10-18)26-21(29)20-12-19(27-28-20)15-3-5-16(23)6-4-15/h3-6,11-12,17-18H,7-10H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90634609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).