5-chloro-1-[(3-methylphenyl)methyl]pyrazole

C11H11ClN2 — CID 83241528

IUPAC5-chloro-1-[(3-methylphenyl)methyl]pyrazole
SMILESCc1cccc(Cn2nccc2Cl)c1
InChIInChI=1S/C11H11ClN2/c1-9-3-2-4-10(7-9)8-14-11(12)5-6-13-14/h2-7H,8H2,1H3
InChIKeyKUMNBXZHOSNPTD-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.89
Rot. Bonds2

About 5-chloro-1-[(3-methylphenyl)methyl]pyrazole

5-chloro-1-[(3-methylphenyl)methyl]pyrazole (PubChem CID 83241528) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 5-chloro-1-[(3-methylphenyl)methyl]pyrazole.

Molecular Properties

Compound Name5-chloro-1-[(3-methylphenyl)methyl]pyrazole
PubChem CID83241528
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name5-chloro-1-[(3-methylphenyl)methyl]pyrazole
SMILESCc1cccc(Cn2nccc2Cl)c1
InChIInChI=1S/C11H11ClN2/c1-9-3-2-4-10(7-9)8-14-11(12)5-6-13-14/h2-7H,8H2,1H3
InChIKeyKUMNBXZHOSNPTD-UHFFFAOYSA-N
XLogP2.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]propan-1-ol
CID 134085813
[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 115068523
3-chloro-2-[(3-methylphenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole
CID 83192577
2-[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 115068545
1-benzyl-5-methylsulfanylpyrazole
CID 15683216
5-chloro-1-[(3-methylphenyl)methyl]triazole-4-carboxylic acid
CID 102544050
1-[(2,6-dichlorophenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 22195536
4-[(3-methylphenyl)methyl]-1,4-oxazine
CID 130223742
2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 139016394
N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide
CID 55687689
3,5-bis(4-bromophenyl)-4-chloro-1-[(3-methylphenyl)methyl]pyrazole
CID 17025409
3-chloro-5-ethyl-4-[(3-methylphenyl)methyl]-1,2,4-triazole
CID 63385767

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3-methylphenyl)methyl]pyrazole?
The IUPAC name of 5-chloro-1-[(3-methylphenyl)methyl]pyrazole (CID 83241528) is 5-chloro-1-[(3-methylphenyl)methyl]pyrazole.
What is the SMILES notation for 5-chloro-1-[(3-methylphenyl)methyl]pyrazole?
The canonical SMILES for 5-chloro-1-[(3-methylphenyl)methyl]pyrazole is Cc1cccc(Cn2nccc2Cl)c1.
What is the InChIKey of 5-chloro-1-[(3-methylphenyl)methyl]pyrazole?
The InChIKey is KUMNBXZHOSNPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-9-3-2-4-10(7-9)8-14-11(12)5-6-13-14/h2-7H,8H2,1H3.
What are the key properties of 5-chloro-1-[(3-methylphenyl)methyl]pyrazole?
5-chloro-1-[(3-methylphenyl)methyl]pyrazole has a molecular weight of 206.68 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3-methylphenyl)methyl]pyrazole is sourced from PubChem (CID 83241528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).