N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide

C20H27N3O — CID 167772668

IUPACN-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCCC1CCC(CNC(=O)Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C20H27N3O/c1-2-16-8-10-17(11-9-16)13-21-20(24)12-18-14-22-23(15-18)19-6-4-3-5-7-19/h3-7,14-17H,2,8-13H2,1H3,(H,21,24)
InChIKeyFBQFAOUSMPTDAH-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.75
Rot. Bonds6

About N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 167772668) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID167772668
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCCC1CCC(CNC(=O)Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C20H27N3O/c1-2-16-8-10-17(11-9-16)13-21-20(24)12-18-14-22-23(15-18)19-6-4-3-5-7-19/h3-7,14-17H,2,8-13H2,1H3,(H,21,24)
InChIKeyFBQFAOUSMPTDAH-UHFFFAOYSA-N
XLogP3.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 167828406
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661
N-[(1S)-1-cyclopropylethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 52528125
N-[(3-aminocyclobutyl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 167759352
1-(cyclopropylmethyl)-2-methyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 111870444
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
methyl 4-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 18152301
1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 99792880
cis-(1S,3R)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675168
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 167772668) is N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide is CCC1CCC(CNC(=O)Cc2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is FBQFAOUSMPTDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-2-16-8-10-17(11-9-16)13-21-20(24)12-18-14-22-23(15-18)19-6-4-3-5-7-19/h3-7,14-17H,2,8-13H2,1H3,(H,21,24).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 325.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 167772668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).