N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide

C22H25N3O2 — CID 91554312

IUPACN-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NCCc2cccc(OC)c2)cnn1-c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-3-8-21-20(16-24-25(21)18-10-5-4-6-11-18)22(26)23-14-13-17-9-7-12-19(15-17)27-2/h4-7,9-12,15-16H,3,8,13-14H2,1-2H3,(H,23,26)
InChIKeySHNLVUGTTIMFKN-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.81
Rot. Bonds8

About N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide (PubChem CID 91554312) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide
PubChem CID91554312
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)NCCc2cccc(OC)c2)cnn1-c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-3-8-21-20(16-24-25(21)18-10-5-4-6-11-18)22(26)23-14-13-17-9-7-12-19(15-17)27-2/h4-7,9-12,15-16H,3,8,13-14H2,1-2H3,(H,23,26)
InChIKeySHNLVUGTTIMFKN-UHFFFAOYSA-N
XLogP3.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide
CID 90739672
N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577690
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
methyl 4,5-dimethoxy-2-[(1-phenyl-5-propylpyrazole-4-carbonyl)amino]benzoate
CID 2811265
6-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109155485
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-sulfanylbenzamide
CID 107854785
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 39562340
tert-butyl 4-[4-[(3-methoxyphenyl)methylcarbamoyl]-1-phenylpyrazol-5-yl]piperidine-1-carboxylate
CID 46281317
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
5-ethyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46577228
5-bromo-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47041883

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide (CID 91554312) is N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)NCCc2cccc(OC)c2)cnn1-c1ccccc1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
The InChIKey is SHNLVUGTTIMFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-8-21-20(16-24-25(21)18-10-5-4-6-11-18)22(26)23-14-13-17-9-7-12-19(15-17)27-2/h4-7,9-12,15-16H,3,8,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 91554312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).