(4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone

C12H17ClN2O2 — CID 103450346

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone
SMILESCn1ncc(Cl)c1C(=O)C1(O)CCCCCC1
InChIInChI=1S/C12H17ClN2O2/c1-15-10(9(13)8-14-15)11(16)12(17)6-4-2-3-5-7-12/h8,17H,2-7H2,1H3
InChIKeyVOMJIQRJJDPKKL-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.34
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone (PubChem CID 103450346) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone
PubChem CID103450346
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone
SMILESCn1ncc(Cl)c1C(=O)C1(O)CCCCCC1
InChIInChI=1S/C12H17ClN2O2/c1-15-10(9(13)8-14-15)11(16)12(17)6-4-2-3-5-7-12/h8,17H,2-7H2,1H3
InChIKeyVOMJIQRJJDPKKL-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829728
(4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone
CID 114641258
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-hydroxycyclohexyl)methanone
CID 103449641
(1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114669515
(4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
CID 114669176
(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-2-yl)methanone
CID 114671308
(4-chloro-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanone
CID 114640025
1-(4-chloro-1-methylpyrazol-5-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 114669462
2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
CID 114669615
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
(4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone
CID 114642790
4-chloro-1-methyl-N-[1-(pyrrolidin-1-ylmethyl)cyclohexyl]pyrazole-5-carboxamide
CID 77095105

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone (CID 103450346) is (4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone is Cn1ncc(Cl)c1C(=O)C1(O)CCCCCC1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone?
The InChIKey is VOMJIQRJJDPKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-15-10(9(13)8-14-15)11(16)12(17)6-4-2-3-5-7-12/h8,17H,2-7H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone has a molecular weight of 256.73 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone is sourced from PubChem (CID 103450346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).