N-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide

C18H23N3O2 — CID 146422801

IUPACN-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide
SMILESCc1cc(OCNC(=O)C2CCCCC2)n(-c2ccccc2)n1
InChIInChI=1S/C18H23N3O2/c1-14-12-17(21(20-14)16-10-6-3-7-11-16)23-13-19-18(22)15-8-4-2-5-9-15/h3,6-7,10-12,15H,2,4-5,8-9,13H2,1H3,(H,19,22)
InChIKeyGABACKGCZYFOEL-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.21
Rot. Bonds5

About N-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide

N-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide (PubChem CID 146422801) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide
PubChem CID146422801
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide
SMILESCc1cc(OCNC(=O)C2CCCCC2)n(-c2ccccc2)n1
InChIInChI=1S/C18H23N3O2/c1-14-12-17(21(20-14)16-10-6-3-7-11-16)23-13-19-18(22)15-8-4-2-5-9-15/h3,6-7,10-12,15H,2,4-5,8-9,13H2,1H3,(H,19,22)
InChIKeyGABACKGCZYFOEL-UHFFFAOYSA-N
XLogP3.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(5-methyl-2-phenylpyrazol-3-yl)oxyethyl cyclohexanecarboxylate
CID 166035459
2-cyclohexyl-N-(5-methyl-2-phenylpyrazol-3-yl)oxypropanamide
CID 150598123
[3-[[4-[5-(cyclopentanecarbonyloxymethoxy)-3-methylpyrazol-1-yl]phenyl]methyl]-1-phenylpyrazol-5-yl]oxymethyl cyclohexanecarboxylate
CID 146422853
(5-methyl-2-phenylpyrazol-3-yl) hydrogen carbonate
CID 175140326
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110717356
N-[(3-phenyltriazol-4-yl)methyl]cyclohexanecarboxamide
CID 110874254
(5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate
CID 155801750
N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide
CID 9327240
(5-methyl-2-phenylpyrazol-3-yl) N,N-diphenylcarbamate
CID 155801902
(5-methyl-2-phenylpyrazol-3-yl) heptanoate
CID 155801802
ethyl 5-(cyclopentanecarbonylamino)-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
CID 3616129
N-phenacylcyclohexanecarboxamide
CID 54070217

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide?
The IUPAC name of N-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide (CID 146422801) is N-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide is Cc1cc(OCNC(=O)C2CCCCC2)n(-c2ccccc2)n1.
What is the InChIKey of N-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide?
The InChIKey is GABACKGCZYFOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-12-17(21(20-14)16-10-6-3-7-11-16)23-13-19-18(22)15-8-4-2-5-9-15/h3,6-7,10-12,15H,2,4-5,8-9,13H2,1H3,(H,19,22).
What are the key properties of N-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide?
N-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]cyclohexanecarboxamide is sourced from PubChem (CID 146422801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).