N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrazole-4-carboxamide

C14H23N3O2 — CID 65119120

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2(O)CCC(C)(C)CC2)cn1
InChIInChI=1S/C14H23N3O2/c1-13(2)4-6-14(19,7-5-13)10-15-12(18)11-8-16-17(3)9-11/h8-9,19H,4-7,10H2,1-3H3,(H,15,18)
InChIKeyBEPJDNQDEXIGHH-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.48
Rot. Bonds3

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrazole-4-carboxamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 65119120) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID65119120
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2(O)CCC(C)(C)CC2)cn1
InChIInChI=1S/C14H23N3O2/c1-13(2)4-6-14(19,7-5-13)10-15-12(18)11-8-16-17(3)9-11/h8-9,19H,4-7,10H2,1-3H3,(H,15,18)
InChIKeyBEPJDNQDEXIGHH-UHFFFAOYSA-N
XLogP1.48
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrazole-4-carboxamide (CID 65119120) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCC2(O)CCC(C)(C)CC2)cn1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is BEPJDNQDEXIGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-13(2)4-6-14(19,7-5-13)10-15-12(18)11-8-16-17(3)9-11/h8-9,19H,4-7,10H2,1-3H3,(H,15,18).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrazole-4-carboxamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 65119120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).