N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3,3,5-trimethylcyclohexane-1-carboxamide

C17H29N3O2 — CID 110021191

IUPACN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3,3,5-trimethylcyclohexane-1-carboxamide
SMILESCC1CC(C(=O)NCC(C)(O)c2cnn(C)c2)CC(C)(C)C1
InChIInChI=1S/C17H29N3O2/c1-12-6-13(8-16(2,3)7-12)15(21)18-11-17(4,22)14-9-19-20(5)10-14/h9-10,12-13,22H,6-8,11H2,1-5H3,(H,18,21)
InChIKeyNHGGENDLEACIQB-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.21
Rot. Bonds4

About N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3,3,5-trimethylcyclohexane-1-carboxamide

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3,3,5-trimethylcyclohexane-1-carboxamide (PubChem CID 110021191) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3,3,5-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3,3,5-trimethylcyclohexane-1-carboxamide
PubChem CID110021191
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3,3,5-trimethylcyclohexane-1-carboxamide
SMILESCC1CC(C(=O)NCC(C)(O)c2cnn(C)c2)CC(C)(C)C1
InChIInChI=1S/C17H29N3O2/c1-12-6-13(8-16(2,3)7-12)15(21)18-11-17(4,22)14-9-19-20(5)10-14/h9-10,12-13,22H,6-8,11H2,1-5H3,(H,18,21)
InChIKeyNHGGENDLEACIQB-UHFFFAOYSA-N
XLogP2.21
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3,3,5-trimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3,3,5-trimethylcyclohexane-1-carboxamide (CID 110021191) is N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3,3,5-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3,3,5-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3,3,5-trimethylcyclohexane-1-carboxamide is CC1CC(C(=O)NCC(C)(O)c2cnn(C)c2)CC(C)(C)C1.
What is the InChIKey of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3,3,5-trimethylcyclohexane-1-carboxamide?
The InChIKey is NHGGENDLEACIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12-6-13(8-16(2,3)7-12)15(21)18-11-17(4,22)14-9-19-20(5)10-14/h9-10,12-13,22H,6-8,11H2,1-5H3,(H,18,21).
What are the key properties of N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3,3,5-trimethylcyclohexane-1-carboxamide?
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3,3,5-trimethylcyclohexane-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3,3,5-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 110021191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).