3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide

C23H27N5O4 — CID 90633367

IUPAC3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NC3CCC(Oc4ncccn4)CC3)n(C)n2)c1
InChIInChI=1S/C23H27N5O4/c1-28-20(14-19(27-28)18-13-17(30-2)9-10-21(18)31-3)22(29)26-15-5-7-16(8-6-15)32-23-24-11-4-12-25-23/h4,9-16H,5-8H2,1-3H3,(H,26,29)
InChIKeyQNZDWLLVRXFJDD-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.01
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide (PubChem CID 90633367) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide
PubChem CID90633367
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NC3CCC(Oc4ncccn4)CC3)n(C)n2)c1
InChIInChI=1S/C23H27N5O4/c1-28-20(14-19(27-28)18-13-17(30-2)9-10-21(18)31-3)22(29)26-15-5-7-16(8-6-15)32-23-24-11-4-12-25-23/h4,9-16H,5-8H2,1-3H3,(H,26,29)
InChIKeyQNZDWLLVRXFJDD-UHFFFAOYSA-N
XLogP3.01
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-2-methoxy-N-(4-pyrimidin-2-yloxycyclohexyl)benzamide
CID 90633270
N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121083958
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162006
3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide
CID 122302383
2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626250
3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 121083972
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-2,4-dimethoxybenzamide
CID 90633687
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255848
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163157
3-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121084117
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560405
N-(4-pyrimidin-2-yloxycyclohexyl)naphthalene-2-carboxamide
CID 90633284

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide (CID 90633367) is 3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)NC3CCC(Oc4ncccn4)CC3)n(C)n2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide?
The InChIKey is QNZDWLLVRXFJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-28-20(14-19(27-28)18-13-17(30-2)9-10-21(18)31-3)22(29)26-15-5-7-16(8-6-15)32-23-24-11-4-12-25-23/h4,9-16H,5-8H2,1-3H3,(H,26,29).
What are the key properties of 3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide is sourced from PubChem (CID 90633367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).