N-cyclohexyl-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide

C23H27N5O3 — CID 42358965

IUPACN-cyclohexyl-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NC2CCCCC2)cnn1-c1nccc(-c2ccccc2OC)n1
InChIInChI=1S/C23H27N5O3/c1-30-15-20-18(22(29)26-16-8-4-3-5-9-16)14-25-28(20)23-24-13-12-19(27-23)17-10-6-7-11-21(17)31-2/h6-7,10-14,16H,3-5,8-9,15H2,1-2H3,(H,26,29)
InChIKeyHCSGBMYJJGPVOP-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.55
Rot. Bonds7

About N-cyclohexyl-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide

N-cyclohexyl-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide (PubChem CID 42358965) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-cyclohexyl-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
PubChem CID42358965
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-cyclohexyl-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NC2CCCCC2)cnn1-c1nccc(-c2ccccc2OC)n1
InChIInChI=1S/C23H27N5O3/c1-30-15-20-18(22(29)26-16-8-4-3-5-9-16)14-25-28(20)23-24-13-12-19(27-23)17-10-6-7-11-21(17)31-2/h6-7,10-14,16H,3-5,8-9,15H2,1-2H3,(H,26,29)
InChIKeyHCSGBMYJJGPVOP-UHFFFAOYSA-N
XLogP3.55
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide (CID 42358965) is N-cyclohexyl-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide is COCc1c(C(=O)NC2CCCCC2)cnn1-c1nccc(-c2ccccc2OC)n1.
What is the InChIKey of N-cyclohexyl-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide?
The InChIKey is HCSGBMYJJGPVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-30-15-20-18(22(29)26-16-8-4-3-5-9-16)14-25-28(20)23-24-13-12-19(27-23)17-10-6-7-11-21(17)31-2/h6-7,10-14,16H,3-5,8-9,15H2,1-2H3,(H,26,29).
What are the key properties of N-cyclohexyl-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide?
N-cyclohexyl-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 42358965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).