(1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone

C14H22N2O2 — CID 103450707

IUPAC(1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)C2(O)CCC(C)CC2)cn1
InChIInChI=1S/C14H22N2O2/c1-3-8-16-10-12(9-15-16)13(17)14(18)6-4-11(2)5-7-14/h9-11,18H,3-8H2,1-2H3
InChIKeyNGRRPOLJDOBYKC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.42
Rot. Bonds4

About (1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone

(1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone (PubChem CID 103450707) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone
PubChem CID103450707
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)C2(O)CCC(C)CC2)cn1
InChIInChI=1S/C14H22N2O2/c1-3-8-16-10-12(9-15-16)13(17)14(18)6-4-11(2)5-7-14/h9-11,18H,3-8H2,1-2H3
InChIKeyNGRRPOLJDOBYKC-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperidin-4-yl)-(1-propylpyrazol-4-yl)methanone
CID 116567933
(1-ethoxycycloheptyl)-(1-propylpyrazol-4-yl)methanone
CID 116750733
(3-ethylpiperidin-3-yl)-(1-propylpyrazol-4-yl)methanone
CID 116568468
4-oxo-4-(1-propylpyrazol-4-yl)butanoic acid
CID 103572838
2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid
CID 81008575
(3-aminocyclopentyl)-(1-propylpyrazol-4-yl)methanone
CID 116587054
1-[hydroxy-(1-propylpyrazol-4-yl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 103573501
(1-propylpyrazol-4-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171944048
(4-butylcyclohexyl)-(1-propylpyrazol-4-yl)methanone
CID 114963777
2-methyl-1-(1-propylpyrazol-4-yl)prop-2-en-1-one
CID 103446366
(5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone
CID 103450649
(1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone
CID 116749640

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone?
The IUPAC name of (1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone (CID 103450707) is (1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for (1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone?
The canonical SMILES for (1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)C2(O)CCC(C)CC2)cn1.
What is the InChIKey of (1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone?
The InChIKey is NGRRPOLJDOBYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-8-16-10-12(9-15-16)13(17)14(18)6-4-11(2)5-7-14/h9-11,18H,3-8H2,1-2H3.
What are the key properties of (1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone?
(1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone has a molecular weight of 250.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-4-methylcyclohexyl)-(1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 103450707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).