N-(4-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide

C20H21N3O2 — CID 2811267

IUPACN-(4-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(OC)cc2)cnn1-c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-3-7-19-18(14-21-23(19)16-8-5-4-6-9-16)20(24)22-15-10-12-17(25-2)13-11-15/h4-6,8-14H,3,7H2,1-2H3,(H,22,24)
InChIKeyPNQBEGBOKQICRP-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.09
Rot. Bonds6

About N-(4-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide

N-(4-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide (PubChem CID 2811267) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
PubChem CID2811267
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(4-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(OC)cc2)cnn1-c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-3-7-19-18(14-21-23(19)16-8-5-4-6-9-16)20(24)22-15-10-12-17(25-2)13-11-15/h4-6,8-14H,3,7H2,1-2H3,(H,22,24)
InChIKeyPNQBEGBOKQICRP-UHFFFAOYSA-N
XLogP4.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide (CID 2811267) is N-(4-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2ccc(OC)cc2)cnn1-c1ccccc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The InChIKey is PNQBEGBOKQICRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-7-19-18(14-21-23(19)16-8-5-4-6-9-16)20(24)22-15-10-12-17(25-2)13-11-15/h4-6,8-14H,3,7H2,1-2H3,(H,22,24).
What are the key properties of N-(4-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
N-(4-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 2811267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).