N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide

C20H28ClN3O — CID 19533983

IUPACN-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)C(C)n2cc(Cl)c(C)n2)cc1
InChIInChI=1S/C20H28ClN3O/c1-6-13(3)16-8-10-17(11-9-16)19(7-2)22-20(25)15(5)24-12-18(21)14(4)23-24/h8-13,15,19H,6-7H2,1-5H3,(H,22,25)
InChIKeyOXAVFZMQLWJLJE-UHFFFAOYSA-N
MW361.92 g/mol
LogP5.19
Rot. Bonds7

About N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide

N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide (PubChem CID 19533983) has the molecular formula C20H28ClN3O and a molecular weight of 361.92 g/mol. Its IUPAC name is N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide
PubChem CID19533983
Molecular FormulaC20H28ClN3O
Molecular Weight361.92 g/mol
Exact Mass361.19
IUPAC NameN-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)C(C)n2cc(Cl)c(C)n2)cc1
InChIInChI=1S/C20H28ClN3O/c1-6-13(3)16-8-10-17(11-9-16)19(7-2)22-20(25)15(5)24-12-18(21)14(4)23-24/h8-13,15,19H,6-7H2,1-5H3,(H,22,25)
InChIKeyOXAVFZMQLWJLJE-UHFFFAOYSA-N
XLogP5.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.92
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19533979
N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloropyrazol-1-yl)propanamide
CID 19538484
N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536949
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 19537869
2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19536946
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-butan-2-ylphenyl)propyl]-2-methylpropanamide
CID 19564301
N-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19542086
(2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide
CID 27522422
2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 19533950
4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide
CID 19262770
2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19537559
N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477580

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide (CID 19533983) is N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide is CCC(C)c1ccc(C(CC)NC(=O)C(C)n2cc(Cl)c(C)n2)cc1.
What is the InChIKey of N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide?
The InChIKey is OXAVFZMQLWJLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O/c1-6-13(3)16-8-10-17(11-9-16)19(7-2)22-20(25)15(5)24-12-18(21)14(4)23-24/h8-13,15,19H,6-7H2,1-5H3,(H,22,25).
What are the key properties of N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide?
N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide has a molecular weight of 361.92 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19533983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).