1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one

C10H15ClN2O2 — CID 114642539

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)c1c(Cl)cnn1C
InChIInChI=1S/C10H15ClN2O2/c1-4-5-8(15-3)10(14)9-7(11)6-12-13(9)2/h6,8H,4-5H2,1-3H3
InChIKeyJQDFRJBCNXRKKE-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.07
Rot. Bonds5

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one

1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one (PubChem CID 114642539) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one
PubChem CID114642539
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)c1c(Cl)cnn1C
InChIInChI=1S/C10H15ClN2O2/c1-4-5-8(15-3)10(14)9-7(11)6-12-13(9)2/h6,8H,4-5H2,1-3H3
InChIKeyJQDFRJBCNXRKKE-UHFFFAOYSA-N
XLogP2.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxypentan-1-one
CID 114642546
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethanone
CID 114642247
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)hexan-1-one
CID 114671020
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-4-methoxybutan-1-one
CID 114669074
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 114642497
4-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 114670407
1-(4-chloro-1-methylpyrazol-5-yl)-2-propoxyethanone
CID 114639642
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
1-(4-chloro-1-ethylpyrazol-5-yl)-2-propylpentan-1-one
CID 115803895
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114670883
1-(4-chloro-1-methylpyrazol-5-yl)-2-hydroxy-2-phenylethanone
CID 103458258
1-(2-chloro-5-fluorophenyl)-2-methoxypentan-1-one
CID 105394391

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one (CID 114642539) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one is CCCC(OC)C(=O)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one?
The InChIKey is JQDFRJBCNXRKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-4-5-8(15-3)10(14)9-7(11)6-12-13(9)2/h6,8H,4-5H2,1-3H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one?
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one has a molecular weight of 230.69 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxypentan-1-one is sourced from PubChem (CID 114642539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).