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

C20H22N6O2 — CID 90544593

IUPAC3-(3-methoxyphenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc(N4CCCCC4)ncn3)[nH]n2)c1
InChIInChI=1S/C20H22N6O2/c1-28-15-7-5-6-14(10-15)16-11-17(25-24-16)20(27)23-18-12-19(22-13-21-18)26-8-3-2-4-9-26/h5-7,10-13H,2-4,8-9H2,1H3,(H,24,25)(H,21,22,23,27)
InChIKeyPDBXLHIAWRAOKP-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.12
Rot. Bonds5

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

3-(3-methoxyphenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 90544593) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID90544593
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name3-(3-methoxyphenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc(N4CCCCC4)ncn3)[nH]n2)c1
InChIInChI=1S/C20H22N6O2/c1-28-15-7-5-6-14(10-15)16-11-17(25-24-16)20(27)23-18-12-19(22-13-21-18)26-8-3-2-4-9-26/h5-7,10-13H,2-4,8-9H2,1H3,(H,24,25)(H,21,22,23,27)
InChIKeyPDBXLHIAWRAOKP-UHFFFAOYSA-N
XLogP3.12
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-1-methyl-N-(6-piperidin-1-ylpyrimidin-4-yl)pyrazole-5-carboxamide
CID 90544707
3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
CID 90546079
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722
3-(4-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide
CID 90544240
2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 90544868
1-(4-methoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544748
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90545806
1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544779
N-(6-piperidin-1-ylpyrimidin-4-yl)pyrimidine-2-carboxamide
CID 90544711
N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53098915
4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544651
2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544545

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide (CID 90544593) is 3-(3-methoxyphenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)Nc3cc(N4CCCCC4)ncn3)[nH]n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is PDBXLHIAWRAOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-28-15-7-5-6-14(10-15)16-11-17(25-24-16)20(27)23-18-12-19(22-13-21-18)26-8-3-2-4-9-26/h5-7,10-13H,2-4,8-9H2,1H3,(H,24,25)(H,21,22,23,27).
What are the key properties of 3-(3-methoxyphenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90544593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).