1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide

C16H27N3O2 — CID 64928116

IUPAC1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCC1CCCCC1O
InChIInChI=1S/C16H27N3O2/c1-4-19-14(9-13(18-19)11(2)3)16(21)17-10-12-7-5-6-8-15(12)20/h9,11-12,15,20H,4-8,10H2,1-3H3,(H,17,21)
InChIKeyXYILWFLYBDNIGA-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.31
Rot. Bonds5

About 1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide

1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 64928116) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID64928116
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCC1CCCCC1O
InChIInChI=1S/C16H27N3O2/c1-4-19-14(9-13(18-19)11(2)3)16(21)17-10-12-7-5-6-8-15(12)20/h9,11-12,15,20H,4-8,10H2,1-3H3,(H,17,21)
InChIKeyXYILWFLYBDNIGA-UHFFFAOYSA-N
XLogP2.31
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(chloromethyl)cyclohexyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114307110
N-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66120497
N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 106164346
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703
1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 65109682
3-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]butanoic acid
CID 43360868
1-[[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449376
1-ethyl-N-(5-hydroxy-4-methylpentyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103862380
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 111483892
N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 66171515
1-ethyl-3-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-5-carboxamide
CID 103726195
(3,4-dihydroxypyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 106671806

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 64928116) is 1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)NCC1CCCCC1O.
What is the InChIKey of 1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is XYILWFLYBDNIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-19-14(9-13(18-19)11(2)3)16(21)17-10-12-7-5-6-8-15(12)20/h9,11-12,15,20H,4-8,10H2,1-3H3,(H,17,21).
What are the key properties of 1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 64928116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).