4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide

C18H19ClN4O — CID 19263417

IUPAC4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NC(C)c2ccc(-n3cccc3)cc2)n1
InChIInChI=1S/C18H19ClN4O/c1-3-23-12-16(19)17(21-23)18(24)20-13(2)14-6-8-15(9-7-14)22-10-4-5-11-22/h4-13H,3H2,1-2H3,(H,20,24)
InChIKeyPRKZPSFMRIUAOL-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.84
Rot. Bonds5

About 4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide

4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide (PubChem CID 19263417) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
PubChem CID19263417
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NC(C)c2ccc(-n3cccc3)cc2)n1
InChIInChI=1S/C18H19ClN4O/c1-3-23-12-16(19)17(21-23)18(24)20-13(2)14-6-8-15(9-7-14)22-10-4-5-11-22/h4-13H,3H2,1-2H3,(H,20,24)
InChIKeyPRKZPSFMRIUAOL-UHFFFAOYSA-N
XLogP3.84
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19521089
4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 35522426
N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
CID 45153639
2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
CID 56725306
4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19263433
1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 19474638
1-[2-oxo-2-[1-(4-pyrrol-1-ylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19502242
4-amino-1-ethyl-N-[1-(4-methoxyphenyl)ethyl]pyrazole-3-carboxamide
CID 66197175
N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 55577942
1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 19281660
4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide
CID 35522358
ethyl (2R)-2-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-sulfanylpropanoate
CID 19263325

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide (CID 19263417) is 4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)NC(C)c2ccc(-n3cccc3)cc2)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is PRKZPSFMRIUAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-3-23-12-16(19)17(21-23)18(24)20-13(2)14-6-8-15(9-7-14)22-10-4-5-11-22/h4-13H,3H2,1-2H3,(H,20,24).
What are the key properties of 4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19263417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).