1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole

C14H18N6 — CID 22496980

IUPAC1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole
SMILESCc1ccn(C(C)(n2ccc(C)n2)n2ccc(C)n2)n1
InChIInChI=1S/C14H18N6/c1-11-5-8-18(15-11)14(4,19-9-6-12(2)16-19)20-10-7-13(3)17-20/h5-10H,1-4H3
InChIKeyCOYYJLRBEZHKFV-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.93
Rot. Bonds3

About 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole

1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole (PubChem CID 22496980) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole.

Molecular Properties

Compound Name1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole
PubChem CID22496980
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole
SMILESCc1ccn(C(C)(n2ccc(C)n2)n2ccc(C)n2)n1
InChIInChI=1S/C14H18N6/c1-11-5-8-18(15-11)14(4,19-9-6-12(2)16-19)20-10-7-13(3)17-20/h5-10H,1-4H3
InChIKeyCOYYJLRBEZHKFV-UHFFFAOYSA-N
XLogP1.93
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole?
The IUPAC name of 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole (CID 22496980) is 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole.
What is the SMILES notation for 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole?
The canonical SMILES for 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole is Cc1ccn(C(C)(n2ccc(C)n2)n2ccc(C)n2)n1.
What is the InChIKey of 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole?
The InChIKey is COYYJLRBEZHKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-11-5-8-18(15-11)14(4,19-9-6-12(2)16-19)20-10-7-13(3)17-20/h5-10H,1-4H3.
What are the key properties of 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole?
1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole has a molecular weight of 270.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis(3-methylpyrazol-1-yl)ethyl]-3-methylpyrazole is sourced from PubChem (CID 22496980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).