(4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone

C15H24N2O — CID 65400880

IUPAC(4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)C2CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C15H24N2O/c1-15(2,3)13-7-5-11(6-8-13)14(18)12-9-16-17(4)10-12/h9-11,13H,5-8H2,1-4H3
InChIKeyPYXLDPIRBUGWAP-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.46
Rot. Bonds2

About (4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone

(4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone (PubChem CID 65400880) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone
PubChem CID65400880
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)C2CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C15H24N2O/c1-15(2,3)13-7-5-11(6-8-13)14(18)12-9-16-17(4)10-12/h9-11,13H,5-8H2,1-4H3
InChIKeyPYXLDPIRBUGWAP-UHFFFAOYSA-N
XLogP3.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone
CID 114963936
(4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114640751
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(1-methylpyrazol-4-yl)methanone
CID 114963969
(4-tert-butylcyclohexyl)-(5-methyl-3-pyridinyl)methanone
CID 113297061
(4-tert-butylcyclohexyl)-(5-fluoro-3-pyridinyl)methanone
CID 65401097
(4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone
CID 63491613
6-bicyclo[3.1.0]hexanyl-(1-methylpyrazol-4-yl)methanone
CID 114963983
2,2-difluoro-1-(1-methylpyrazol-4-yl)propan-1-one
CID 127017336
(1-methylpyrazol-4-yl)-(3-oxabicyclo[3.1.0]hexan-6-yl)methanone
CID 130763997
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-4-oxobutanamide
CID 166221535
(4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone
CID 114213063
1-[1-(4-tert-butylcyclohexanecarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 86814563

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of (4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone (CID 65400880) is (4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)C2CCC(C(C)(C)C)CC2)cn1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone?
The InChIKey is PYXLDPIRBUGWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,3)13-7-5-11(6-8-13)14(18)12-9-16-17(4)10-12/h9-11,13H,5-8H2,1-4H3.
What are the key properties of (4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone?
(4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone has a molecular weight of 248.37 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 65400880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).