N-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide

C18H26N4O — CID 125431920

IUPACN-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide
SMILESO=C(CC1(Cn2cccc2)CCCCC1)NCCn1cccn1
InChIInChI=1S/C18H26N4O/c23-17(19-10-14-22-13-6-9-20-22)15-18(7-2-1-3-8-18)16-21-11-4-5-12-21/h4-6,9,11-13H,1-3,7-8,10,14-16H2,(H,19,23)
InChIKeyINLKFPRQHBRIGJ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.84
Rot. Bonds7

About N-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide

N-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide (PubChem CID 125431920) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide
PubChem CID125431920
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide
SMILESO=C(CC1(Cn2cccc2)CCCCC1)NCCn1cccn1
InChIInChI=1S/C18H26N4O/c23-17(19-10-14-22-13-6-9-20-22)15-18(7-2-1-3-8-18)16-21-11-4-5-12-21/h4-6,9,11-13H,1-3,7-8,10,14-16H2,(H,19,23)
InChIKeyINLKFPRQHBRIGJ-UHFFFAOYSA-N
XLogP2.84
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 104678011
2-[1-[2-oxo-2-(2-pyrazol-1-ylethylamino)ethyl]cyclohexyl]acetic acid
CID 61459546
2-(1-aminocyclopentyl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 64677819
2-(1-hydroxycyclohexyl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 111432305
2-[1-(pyrrol-1-ylmethyl)cyclohexyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 125432201
1-(2-pyrazol-1-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61461432
1-(2-pyrazol-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096262
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027
N-(1H-benzimidazol-2-ylmethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide
CID 125433670
2-[1-[[(2-pyrazol-1-ylacetyl)amino]methyl]cyclobutyl]acetic acid
CID 81165316
N-[2-(pyrimidin-2-ylamino)ethyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125431329
N-[[1-(chloromethyl)cyclopentyl]methyl]-2-pyrazol-1-ylethanamine
CID 115363274

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide?
The IUPAC name of N-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide (CID 125431920) is N-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide is O=C(CC1(Cn2cccc2)CCCCC1)NCCn1cccn1.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide?
The InChIKey is INLKFPRQHBRIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c23-17(19-10-14-22-13-6-9-20-22)15-18(7-2-1-3-8-18)16-21-11-4-5-12-21/h4-6,9,11-13H,1-3,7-8,10,14-16H2,(H,19,23).
What are the key properties of N-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide?
N-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide has a molecular weight of 314.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)-2-[1-(pyrrol-1-ylmethyl)cyclohexyl]acetamide is sourced from PubChem (CID 125431920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).