2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide

C18H23ClN4O3 — CID 86891237

IUPAC2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide
SMILESCc1cc(OCC(=O)NC(CC(C)C)C(=O)Nc2ccn[nH]2)ccc1Cl
InChIInChI=1S/C18H23ClN4O3/c1-11(2)8-15(18(25)22-16-6-7-20-23-16)21-17(24)10-26-13-4-5-14(19)12(3)9-13/h4-7,9,11,15H,8,10H2,1-3H3,(H,21,24)(H2,20,22,23,25)
InChIKeyGZHHUCKLOXNLPC-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.92
Rot. Bonds8

About 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide

2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide (PubChem CID 86891237) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide
PubChem CID86891237
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC Name2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide
SMILESCc1cc(OCC(=O)NC(CC(C)C)C(=O)Nc2ccn[nH]2)ccc1Cl
InChIInChI=1S/C18H23ClN4O3/c1-11(2)8-15(18(25)22-16-6-7-20-23-16)21-17(24)10-26-13-4-5-14(19)12(3)9-13/h4-7,9,11,15H,8,10H2,1-3H3,(H,21,24)(H2,20,22,23,25)
InChIKeyGZHHUCKLOXNLPC-UHFFFAOYSA-N
XLogP2.92
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,4-dimethylphenoxy)propanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide
CID 86891039
methyl (2S)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoate
CID 9289599
2-[4-(3-bromophenoxy)butanoylamino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide
CID 86891031
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 46778602
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 17404295
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 41038380
(2S,3R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964843
(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107823155
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43916161
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide?
The IUPAC name of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide (CID 86891237) is 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide.
What is the SMILES notation for 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide?
The canonical SMILES for 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide is Cc1cc(OCC(=O)NC(CC(C)C)C(=O)Nc2ccn[nH]2)ccc1Cl.
What is the InChIKey of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide?
The InChIKey is GZHHUCKLOXNLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c1-11(2)8-15(18(25)22-16-6-7-20-23-16)21-17(24)10-26-13-4-5-14(19)12(3)9-13/h4-7,9,11,15H,8,10H2,1-3H3,(H,21,24)(H2,20,22,23,25).
What are the key properties of 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide?
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide has a molecular weight of 378.86 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methyl-N-(1H-pyrazol-5-yl)pentanamide is sourced from PubChem (CID 86891237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).