1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide

C17H29N3O2 — CID 110895136

IUPAC1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCC(O)CC2)nn1C(C)(C)C
InChIInChI=1S/C17H29N3O2/c1-11(2)15-10-14(19-20(15)17(3,4)5)16(22)18-12-6-8-13(21)9-7-12/h10-13,21H,6-9H2,1-5H3,(H,18,22)
InChIKeyFFDSZTWGNABVFR-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.79
Rot. Bonds3

About 1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide

1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 110895136) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID110895136
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCC(O)CC2)nn1C(C)(C)C
InChIInChI=1S/C17H29N3O2/c1-11(2)15-10-14(19-20(15)17(3,4)5)16(22)18-12-6-8-13(21)9-7-12/h10-13,21H,6-9H2,1-5H3,(H,18,22)
InChIKeyFFDSZTWGNABVFR-UHFFFAOYSA-N
XLogP2.79
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 120946536
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1-(1-tert-butyl-5-propan-2-ylpyrazole-3-carbonyl)-N-phenylpiperidine-4-carboxamide
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5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 117215256
1-tert-butyl-5-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrazole-3-carboxamide
CID 120812919
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide (CID 110895136) is 1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide is CC(C)c1cc(C(=O)NC2CCC(O)CC2)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is FFDSZTWGNABVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-11(2)15-10-14(19-20(15)17(3,4)5)16(22)18-12-6-8-13(21)9-7-12/h10-13,21H,6-9H2,1-5H3,(H,18,22).
What are the key properties of 1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide?
1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 110895136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).