5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide

C20H25N5O2 — CID 46977397

IUPAC5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3c(C)nn(C)c3C)nn2C)cc1
InChIInChI=1S/C20H25N5O2/c1-13-17(14(2)24(3)22-13)10-11-21-20(26)18-12-19(25(4)23-18)15-6-8-16(27-5)9-7-15/h6-9,12H,10-11H2,1-5H3,(H,21,26)
InChIKeyPFCPBRPYFLFWOX-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.42
Rot. Bonds6

About 5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide

5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 46977397) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
PubChem CID46977397
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3c(C)nn(C)c3C)nn2C)cc1
InChIInChI=1S/C20H25N5O2/c1-13-17(14(2)24(3)22-13)10-11-21-20(26)18-12-19(25(4)23-18)15-6-8-16(27-5)9-7-15/h6-9,12H,10-11H2,1-5H3,(H,21,26)
InChIKeyPFCPBRPYFLFWOX-UHFFFAOYSA-N
XLogP2.42
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768030
5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336374
1-(4-methoxyphenyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 53029159
2-(4-methoxyphenyl)-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110446439
N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336303
2,5-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 87025021
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111169565
N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336301
4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110717254
5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 7219874
1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 46104554
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 78888374

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide (CID 46977397) is 5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCCc3c(C)nn(C)c3C)nn2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is PFCPBRPYFLFWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-17(14(2)24(3)22-13)10-11-21-20(26)18-12-19(25(4)23-18)15-6-8-16(27-5)9-7-15/h6-9,12H,10-11H2,1-5H3,(H,21,26).
What are the key properties of 5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide?
5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 46977397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).