N-cyclohexyl-3-ethoxy-1-ethylpyrazole-4-carboxamide

C14H23N3O2 — CID 16925381

IUPACN-cyclohexyl-3-ethoxy-1-ethylpyrazole-4-carboxamide
SMILESCCOc1nn(CC)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C14H23N3O2/c1-3-17-10-12(14(16-17)19-4-2)13(18)15-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,15,18)
InChIKeyXZPTWTUNOVCZIO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.36
Rot. Bonds5

About N-cyclohexyl-3-ethoxy-1-ethylpyrazole-4-carboxamide

N-cyclohexyl-3-ethoxy-1-ethylpyrazole-4-carboxamide (PubChem CID 16925381) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-cyclohexyl-3-ethoxy-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-ethoxy-1-ethylpyrazole-4-carboxamide
PubChem CID16925381
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-cyclohexyl-3-ethoxy-1-ethylpyrazole-4-carboxamide
SMILESCCOc1nn(CC)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C14H23N3O2/c1-3-17-10-12(14(16-17)19-4-2)13(18)15-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,15,18)
InChIKeyXZPTWTUNOVCZIO-UHFFFAOYSA-N
XLogP2.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 71796128
N-Ethyl-3-methoxy-1-methyl-N-propyl-1H-pyrazole-4-carboxamide
CID 45097881
N-ethyl-1-methyl-3-(prop-2-yn-1-yloxy)-N-propyl-1H-pyrazole-4-carboxamide
CID 76334034
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(piperidin-1-yl)methanone
CID 71789424
3-methoxy-N-(2-methoxyethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 16925263
N-cyclopentyl-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
CID 16925267
N-(2-(cyclohex-1-en-1-yl)ethyl)-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
CID 16925270
(3-ethoxy-1-ethyl-1H-pyrazol-4-yl)(morpholino)methanone
CID 16925364
(3-propoxy-1-propyl-1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 16925481
(4-methylpiperazin-1-yl)(3-propoxy-1-propyl-1H-pyrazol-4-yl)methanone
CID 16925488
1-(3-propoxy-1-propyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
CID 16925595
methyl 4-((3-methoxy-1-methyl-1H-pyrazole-4-carboxamido)methyl)piperidine-1-carboxylate
CID 49688740

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-ethoxy-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-cyclohexyl-3-ethoxy-1-ethylpyrazole-4-carboxamide (CID 16925381) is N-cyclohexyl-3-ethoxy-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-ethoxy-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclohexyl-3-ethoxy-1-ethylpyrazole-4-carboxamide is CCOc1nn(CC)cc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-ethoxy-1-ethylpyrazole-4-carboxamide?
The InChIKey is XZPTWTUNOVCZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-17-10-12(14(16-17)19-4-2)13(18)15-11-8-6-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,15,18).
What are the key properties of N-cyclohexyl-3-ethoxy-1-ethylpyrazole-4-carboxamide?
N-cyclohexyl-3-ethoxy-1-ethylpyrazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-ethoxy-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 16925381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).