3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide

C20H19N3O2 — CID 27167430

IUPAC3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1
InChIInChI=1S/C20H19N3O2/c1-25-17-9-5-6-15(12-17)21-20(24)19-13-18(14-10-11-14)22-23(19)16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H,21,24)
InChIKeyUGWRXQKQQNZDPX-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.01
Rot. Bonds5

About 3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide

3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide (PubChem CID 27167430) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
PubChem CID27167430
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1
InChIInChI=1S/C20H19N3O2/c1-25-17-9-5-6-15(12-17)21-20(24)19-13-18(14-10-11-14)22-23(19)16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H,21,24)
InChIKeyUGWRXQKQQNZDPX-UHFFFAOYSA-N
XLogP4.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide (CID 27167430) is 3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide is COc1cccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c1.
What is the InChIKey of 3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is UGWRXQKQQNZDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-17-9-5-6-15(12-17)21-20(24)19-13-18(14-10-11-14)22-23(19)16-7-3-2-4-8-16/h2-9,12-14H,10-11H2,1H3,(H,21,24).
What are the key properties of 3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide?
3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 27167430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).