N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C13H21N3O — CID 53013678

IUPACN-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC1CCCCC1
InChIInChI=1S/C13H21N3O/c1-9-12(10(2)16-15-9)8-13(17)14-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyVSNMUZDHVHZDIY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.02
Rot. Bonds3

About N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 53013678) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID53013678
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC1CCCCC1
InChIInChI=1S/C13H21N3O/c1-9-12(10(2)16-15-9)8-13(17)14-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyVSNMUZDHVHZDIY-UHFFFAOYSA-N
XLogP2.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-2-oxoethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 46988868
1-cyclohexyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 53544708
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56707907
9-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56742112
11-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56754333
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 70718457
4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72869349
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950848
2-azocan-1-yl-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethanamine
CID 70758046
1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxo-2-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]ethanamine
CID 72918107
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-oxoazepane-2-carboxamide
CID 91908906
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 70740924

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 53013678) is N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is VSNMUZDHVHZDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-12(10(2)16-15-9)8-13(17)14-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 235.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 53013678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).