5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide

C13H21N3O2 — CID 111459726

IUPAC5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCC2CCCC(O)C2)n[nH]1
InChIInChI=1S/C13H21N3O2/c1-2-10-7-12(16-15-10)13(18)14-8-9-4-3-5-11(17)6-9/h7,9,11,17H,2-6,8H2,1H3,(H,14,18)(H,15,16)
InChIKeyONPRJVUEQFZIRQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.25
Rot. Bonds4

About 5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide

5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 111459726) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID111459726
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NCC2CCCC(O)C2)n[nH]1
InChIInChI=1S/C13H21N3O2/c1-2-10-7-12(16-15-10)13(18)14-8-9-4-3-5-11(17)6-9/h7,9,11,17H,2-6,8H2,1H3,(H,14,18)(H,15,16)
InChIKeyONPRJVUEQFZIRQ-UHFFFAOYSA-N
XLogP1.25
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
N-[(3-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 103707640
N-[[4-[(2-cyanopentanoylamino)methyl]cyclohexyl]methyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 167944583
N-[[(1R,2S)-2-cyclobutylcyclopropyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 128891586
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 111460504
2-chloro-6-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106120872
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146199
3-amino-N-[(3-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 114148147
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 102556008
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 106118907

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide (CID 111459726) is 5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)NCC2CCCC(O)C2)n[nH]1.
What is the InChIKey of 5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is ONPRJVUEQFZIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-10-7-12(16-15-10)13(18)14-8-9-4-3-5-11(17)6-9/h7,9,11,17H,2-6,8H2,1H3,(H,14,18)(H,15,16).
What are the key properties of 5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide?
5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 111459726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).