1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide

C15H25N3O2 — CID 106364536

IUPAC1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC2CCCCC2CO)n(CC)n1
InChIInChI=1S/C15H25N3O2/c1-3-12-9-14(18(4-2)17-12)15(20)16-13-8-6-5-7-11(13)10-19/h9,11,13,19H,3-8,10H2,1-2H3,(H,16,20)
InChIKeyGTHUZIIRYPCGJI-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.75
Rot. Bonds5

About 1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide

1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide (PubChem CID 106364536) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
PubChem CID106364536
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC2CCCCC2CO)n(CC)n1
InChIInChI=1S/C15H25N3O2/c1-3-12-9-14(18(4-2)17-12)15(20)16-13-8-6-5-7-11(13)10-19/h9,11,13,19H,3-8,10H2,1-2H3,(H,16,20)
InChIKeyGTHUZIIRYPCGJI-UHFFFAOYSA-N
XLogP1.75
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66120397
N-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66119641
N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121735
N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119695
N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66187940
1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrrole-2-carboxamide
CID 114179190
N-(2-chlorocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114301286
4-amino-1-ethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
CID 106358691
(1,3-diethylpyrazol-5-yl)-(2-ethylcyclohexyl)methanone
CID 105102372
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66119836
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]cycloheptane-1-carboxylate
CID 71972240
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide?
The IUPAC name of 1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide (CID 106364536) is 1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide is CCc1cc(C(=O)NC2CCCCC2CO)n(CC)n1.
What is the InChIKey of 1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide?
The InChIKey is GTHUZIIRYPCGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-12-9-14(18(4-2)17-12)15(20)16-13-8-6-5-7-11(13)10-19/h9,11,13,19H,3-8,10H2,1-2H3,(H,16,20).
What are the key properties of 1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide?
1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide is sourced from PubChem (CID 106364536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).