1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide

C21H27N5O — CID 72848342

IUPAC1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCc1c(C(C)NC(=O)c2cc(CC(C)C)nn2C)cnn1-c1ccccc1
InChIInChI=1S/C21H27N5O/c1-14(2)11-17-12-20(25(5)24-17)21(27)23-15(3)19-13-22-26(16(19)4)18-9-7-6-8-10-18/h6-10,12-15H,11H2,1-5H3,(H,23,27)
InChIKeyYOCVCPSMOLPBSI-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.60
Rot. Bonds6

About 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide

1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 72848342) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID72848342
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCc1c(C(C)NC(=O)c2cc(CC(C)C)nn2C)cnn1-c1ccccc1
InChIInChI=1S/C21H27N5O/c1-14(2)11-17-12-20(25(5)24-17)21(27)23-15(3)19-13-22-26(16(19)4)18-9-7-6-8-10-18/h6-10,12-15H,11H2,1-5H3,(H,23,27)
InChIKeyYOCVCPSMOLPBSI-UHFFFAOYSA-N
XLogP3.60
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 72848342) is 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is Cc1c(C(C)NC(=O)c2cc(CC(C)C)nn2C)cnn1-c1ccccc1.
What is the InChIKey of 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is YOCVCPSMOLPBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14(2)11-17-12-20(25(5)24-17)21(27)23-15(3)19-13-22-26(16(19)4)18-9-7-6-8-10-18/h6-10,12-15H,11H2,1-5H3,(H,23,27).
What are the key properties of 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 72848342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).