1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,4,5-trimethylpyrazole

C12H17ClN4 — CID 61226930

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,4,5-trimethylpyrazole
SMILESCc1nn(Cc2c(C)nn(C)c2Cl)c(C)c1C
InChIInChI=1S/C12H17ClN4/c1-7-8(2)15-17(10(7)4)6-11-9(3)14-16(5)12(11)13/h6H2,1-5H3
InChIKeyMSIAYSXQTHWDHF-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.55
Rot. Bonds2

About 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,4,5-trimethylpyrazole

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,4,5-trimethylpyrazole (PubChem CID 61226930) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,4,5-trimethylpyrazole.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,4,5-trimethylpyrazole
PubChem CID61226930
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,4,5-trimethylpyrazole
SMILESCc1nn(Cc2c(C)nn(C)c2Cl)c(C)c1C
InChIInChI=1S/C12H17ClN4/c1-7-8(2)15-17(10(7)4)6-11-9(3)14-16(5)12(11)13/h6H2,1-5H3
InChIKeyMSIAYSXQTHWDHF-UHFFFAOYSA-N
XLogP2.55
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,4,5-trimethylpyrazole?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,4,5-trimethylpyrazole (CID 61226930) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,4,5-trimethylpyrazole.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,4,5-trimethylpyrazole?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,4,5-trimethylpyrazole is Cc1nn(Cc2c(C)nn(C)c2Cl)c(C)c1C.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,4,5-trimethylpyrazole?
The InChIKey is MSIAYSXQTHWDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c1-7-8(2)15-17(10(7)4)6-11-9(3)14-16(5)12(11)13/h6H2,1-5H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,4,5-trimethylpyrazole?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,4,5-trimethylpyrazole has a molecular weight of 252.75 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,4,5-trimethylpyrazole is sourced from PubChem (CID 61226930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).