N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide

C16H21N3O2 — CID 74250779

IUPACN-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESCOc1ccccc1CCNC(=O)CCCc1cn[nH]c1
InChIInChI=1S/C16H21N3O2/c1-21-15-7-3-2-6-14(15)9-10-17-16(20)8-4-5-13-11-18-19-12-13/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyPWHCQGHGOQGVKV-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.10
Rot. Bonds8

About N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide

N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide (PubChem CID 74250779) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
PubChem CID74250779
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESCOc1ccccc1CCNC(=O)CCCc1cn[nH]c1
InChIInChI=1S/C16H21N3O2/c1-21-15-7-3-2-6-14(15)9-10-17-16(20)8-4-5-13-11-18-19-12-13/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyPWHCQGHGOQGVKV-UHFFFAOYSA-N
XLogP2.10
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60769926
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 97205400
N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 39930096
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 72864598
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
CID 72848010
N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 17427984
3-[acetyl(benzyl)amino]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113118224
N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide
CID 106843312
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide
CID 109012770
5-amino-N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 106260751

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide (CID 74250779) is N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide is COc1ccccc1CCNC(=O)CCCc1cn[nH]c1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide?
The InChIKey is PWHCQGHGOQGVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-15-7-3-2-6-14(15)9-10-17-16(20)8-4-5-13-11-18-19-12-13/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide?
N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide has a molecular weight of 287.36 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 74250779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).