N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide

C18H19ClN4O — CID 56582587

IUPACN-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2ccc(Cl)cc2-n2cccc2)n1
InChIInChI=1S/C18H19ClN4O/c1-13-11-14(2)23(21-13)10-7-18(24)20-16-6-5-15(19)12-17(16)22-8-3-4-9-22/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,20,24)
InChIKeyJVYHBEYKTYJUBZ-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.97
Rot. Bonds5

About N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 56582587) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID56582587
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC NameN-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2ccc(Cl)cc2-n2cccc2)n1
InChIInChI=1S/C18H19ClN4O/c1-13-11-14(2)23(21-13)10-7-18(24)20-16-6-5-15(19)12-17(16)22-8-3-4-9-22/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,20,24)
InChIKeyJVYHBEYKTYJUBZ-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide
CID 56530685
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 16786199
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-ethoxybutanamide
CID 56530387
N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 28540908
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-phenylacetamide
CID 56582364
N-(1,5-dimethylpyrazol-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557477
N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 16786978
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 56530498
N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557669

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 56582587) is N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(CCC(=O)Nc2ccc(Cl)cc2-n2cccc2)n1.
What is the InChIKey of N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is JVYHBEYKTYJUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-13-11-14(2)23(21-13)10-7-18(24)20-16-6-5-15(19)12-17(16)22-8-3-4-9-22/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,20,24).
What are the key properties of N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 342.83 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 56582587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).