2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide

C19H25N3O2 — CID 111538363

IUPAC2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide
SMILESCc1cnn(Cc2ccc(NC(=O)CC3(O)CCCCC3)cc2)c1
InChIInChI=1S/C19H25N3O2/c1-15-12-20-22(13-15)14-16-5-7-17(8-6-16)21-18(23)11-19(24)9-3-2-4-10-19/h5-8,12-13,24H,2-4,9-11,14H2,1H3,(H,21,23)
InChIKeyRTZAPNZOHLMMKA-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.26
Rot. Bonds5

About 2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide

2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide (PubChem CID 111538363) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide
PubChem CID111538363
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide
SMILESCc1cnn(Cc2ccc(NC(=O)CC3(O)CCCCC3)cc2)c1
InChIInChI=1S/C19H25N3O2/c1-15-12-20-22(13-15)14-16-5-7-17(8-6-16)21-18(23)11-19(24)9-3-2-4-10-19/h5-8,12-13,24H,2-4,9-11,14H2,1H3,(H,21,23)
InChIKeyRTZAPNZOHLMMKA-UHFFFAOYSA-N
XLogP3.26
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
CID 111111772
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526387
1-(2-cyanoethyl)-1-cyclopropyl-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
CID 71992220
2-(1-hydroxycyclohexyl)-N-[4-(2-methylsulfanylethyl)phenyl]acetamide
CID 111537938
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111720141
2-(1-hydroxycyclohexyl)-N-[4-(sulfamoylmethyl)phenyl]acetamide
CID 138042895
1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone
CID 170580245
2-(aminomethyl)-4-methyl-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pentanamide
CID 86813981
trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
CID 103438533
N-(3,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526409
N,N-diethyl-4-[[2-(1-hydroxycyclopentyl)acetyl]amino]benzamide
CID 111432194
2-(1-hydroxycyclopentyl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 111432531

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide (CID 111538363) is 2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide is Cc1cnn(Cc2ccc(NC(=O)CC3(O)CCCCC3)cc2)c1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide?
The InChIKey is RTZAPNZOHLMMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-12-20-22(13-15)14-16-5-7-17(8-6-16)21-18(23)11-19(24)9-3-2-4-10-19/h5-8,12-13,24H,2-4,9-11,14H2,1H3,(H,21,23).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide has a molecular weight of 327.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 111538363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).