N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide

C15H18ClN3O — CID 131905264

IUPACN-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
SMILESCC(Cn1cccn1)C(=O)NCCc1ccccc1Cl
InChIInChI=1S/C15H18ClN3O/c1-12(11-19-10-4-8-18-19)15(20)17-9-7-13-5-2-3-6-14(13)16/h2-6,8,10,12H,7,9,11H2,1H3,(H,17,20)
InChIKeyMONZMEVOQDTYTQ-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.53
Rot. Bonds6

About N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide

N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide (PubChem CID 131905264) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
PubChem CID131905264
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
SMILESCC(Cn1cccn1)C(=O)NCCc1ccccc1Cl
InChIInChI=1S/C15H18ClN3O/c1-12(11-19-10-4-8-18-19)15(20)17-9-7-13-5-2-3-6-14(13)16/h2-6,8,10,12H,7,9,11H2,1H3,(H,17,20)
InChIKeyMONZMEVOQDTYTQ-UHFFFAOYSA-N
XLogP2.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
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(2S)-N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
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N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131924118
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
2-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-pyrazol-1-ylpropanamide
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2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
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2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide
CID 119759392
1-[2-(2-chlorophenyl)ethyl]-3-(2-methylpropyl)urea
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N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide (CID 131905264) is N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide is CC(Cn1cccn1)C(=O)NCCc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
The InChIKey is MONZMEVOQDTYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-12(11-19-10-4-8-18-19)15(20)17-9-7-13-5-2-3-6-14(13)16/h2-6,8,10,12H,7,9,11H2,1H3,(H,17,20).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide?
N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide has a molecular weight of 291.78 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 131905264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).