3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide

C21H24N6O2 — CID 90544707

IUPAC3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc(N4CCCCC4)ncn3)n(C)n2)c1
InChIInChI=1S/C21H24N6O2/c1-26-18(12-17(25-26)15-7-6-8-16(11-15)29-2)21(28)24-19-13-20(23-14-22-19)27-9-4-3-5-10-27/h6-8,11-14H,3-5,9-10H2,1-2H3,(H,22,23,24,28)
InChIKeyGVWJBHFQBRGCNS-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.13
Rot. Bonds5

About 3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide

3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide (PubChem CID 90544707) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide
PubChem CID90544707
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc(N4CCCCC4)ncn3)n(C)n2)c1
InChIInChI=1S/C21H24N6O2/c1-26-18(12-17(25-26)15-7-6-8-16(11-15)29-2)21(28)24-19-13-20(23-14-22-19)27-9-4-3-5-10-27/h6-8,11-14H,3-5,9-10H2,1-2H3,(H,22,23,24,28)
InChIKeyGVWJBHFQBRGCNS-UHFFFAOYSA-N
XLogP3.13
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-methoxyphenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide
CID 90544593
3-(3-methoxyphenyl)-1-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide
CID 122317516
3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122354772
3-(3-methoxyphenyl)-1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122295727
3-(3-methoxyphenyl)-1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]pyrazole-5-carboxamide
CID 122294975
N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089505
3-(3-methoxyphenyl)-1-methyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyrazole-5-carboxamide
CID 122328408
[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122340542
3-(3-methoxyphenyl)-1-methyl-N-[(6-methylpyrimidin-4-yl)methyl]pyrazole-5-carboxamide
CID 122263527
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088698
N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088704
N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758735

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide (CID 90544707) is 3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)Nc3cc(N4CCCCC4)ncn3)n(C)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide?
The InChIKey is GVWJBHFQBRGCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-26-18(12-17(25-26)15-7-6-8-16(11-15)29-2)21(28)24-19-13-20(23-14-22-19)27-9-4-3-5-10-27/h6-8,11-14H,3-5,9-10H2,1-2H3,(H,22,23,24,28).
What are the key properties of 3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 90544707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).