N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide

C16H21N3O2 — CID 134048712

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)C(C)n1cccn1
InChIInChI=1S/C16H21N3O2/c1-11-6-7-15(21-4)14(10-11)12(2)18-16(20)13(3)19-9-5-8-17-19/h5-10,12-13H,1-4H3,(H,18,20)
InChIKeyPQQPQBFDAINPRF-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.64
Rot. Bonds5

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide

N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 134048712) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide
PubChem CID134048712
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)C(C)n1cccn1
InChIInChI=1S/C16H21N3O2/c1-11-6-7-15(21-4)14(10-11)12(2)18-16(20)13(3)19-9-5-8-17-19/h5-10,12-13H,1-4H3,(H,18,20)
InChIKeyPQQPQBFDAINPRF-UHFFFAOYSA-N
XLogP2.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 51076839
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34952535
N-(2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 42949038
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 78813044
(2R)-2-(carbamoylamino)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51647471
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
3-amino-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 106111523
3-amino-4-[1-(2-methoxy-5-methylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896852
2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]pentanamide
CID 43703461
4-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide
CID 51212432
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide (CID 134048712) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide is COc1ccc(C)cc1C(C)NC(=O)C(C)n1cccn1.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is PQQPQBFDAINPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-6-7-15(21-4)14(10-11)12(2)18-16(20)13(3)19-9-5-8-17-19/h5-10,12-13H,1-4H3,(H,18,20).
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 287.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 134048712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).