4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide

C20H22N4O — CID 90588000

IUPAC4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide
SMILESO=C(CCCc1ccccc1)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C20H22N4O/c25-20(8-4-7-17-5-2-1-3-6-17)22-14-16-24-15-11-19(23-24)18-9-12-21-13-10-18/h1-3,5-6,9-13,15H,4,7-8,14,16H2,(H,22,25)
InChIKeyYIWUHKZSLHEIDQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.08
Rot. Bonds8

About 4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide

4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide (PubChem CID 90588000) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide
PubChem CID90588000
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide
SMILESO=C(CCCc1ccccc1)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C20H22N4O/c25-20(8-4-7-17-5-2-1-3-6-17)22-14-16-24-15-11-19(23-24)18-9-12-21-13-10-18/h1-3,5-6,9-13,15H,4,7-8,14,16H2,(H,22,25)
InChIKeyYIWUHKZSLHEIDQ-UHFFFAOYSA-N
XLogP3.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 71807840
2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide
CID 90588125
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71807811
1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea
CID 90588193
2-(4-chlorophenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588042
4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90588080
2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588072
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 71807800
(E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 90588038
2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588058
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
4-ethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90587985

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide?
The IUPAC name of 4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide (CID 90588000) is 4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide?
The canonical SMILES for 4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide is O=C(CCCc1ccccc1)NCCn1ccc(-c2ccncc2)n1.
What is the InChIKey of 4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide?
The InChIKey is YIWUHKZSLHEIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(8-4-7-17-5-2-1-3-6-17)22-14-16-24-15-11-19(23-24)18-9-12-21-13-10-18/h1-3,5-6,9-13,15H,4,7-8,14,16H2,(H,22,25).
What are the key properties of 4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide?
4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide has a molecular weight of 334.42 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide is sourced from PubChem (CID 90588000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).