(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone

C13H19ClN2O2 — CID 103449641

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone
SMILESCC(C)n1ncc(Cl)c1C(=O)C1(O)CCCCC1
InChIInChI=1S/C13H19ClN2O2/c1-9(2)16-11(10(14)8-15-16)12(17)13(18)6-4-3-5-7-13/h8-9,18H,3-7H2,1-2H3
InChIKeyQQPUPAINUYSECN-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.00
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone (PubChem CID 103449641) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone
PubChem CID103449641
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone
SMILESCC(C)n1ncc(Cl)c1C(=O)C1(O)CCCCC1
InChIInChI=1S/C13H19ClN2O2/c1-9(2)16-11(10(14)8-15-16)12(17)13(18)6-4-3-5-7-13/h8-9,18H,3-7H2,1-2H3
InChIKeyQQPUPAINUYSECN-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone
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(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
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1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724
(2-aminocycloheptyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114670428
1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103452008
(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone
CID 114668046
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thian-2-yl)methanone
CID 114641823
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanone
CID 115805221
(4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829728
(2-aminocyclopentyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanone
CID 114669693
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(diethylamino)-2-methylpropan-1-one
CID 114641067
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-4-hydroxybutan-1-one
CID 106677630

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone (CID 103449641) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone is CC(C)n1ncc(Cl)c1C(=O)C1(O)CCCCC1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone?
The InChIKey is QQPUPAINUYSECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(2)16-11(10(14)8-15-16)12(17)13(18)6-4-3-5-7-13/h8-9,18H,3-7H2,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone has a molecular weight of 270.76 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone is sourced from PubChem (CID 103449641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).