3-(1,1-difluoroethyl)-5-[(4-ethylpyrazol-1-yl)methyl]-1-methylpyrazole

C12H16F2N4 — CID 170363017

IUPAC3-(1,1-difluoroethyl)-5-[(4-ethylpyrazol-1-yl)methyl]-1-methylpyrazole
SMILESCCc1cnn(Cc2cc(C(C)(F)F)nn2C)c1
InChIInChI=1S/C12H16F2N4/c1-4-9-6-15-18(7-9)8-10-5-11(12(2,13)14)16-17(10)3/h5-7H,4,8H2,1-3H3
InChIKeyRREUVOYVONZGKE-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.34
Rot. Bonds4

About 3-(1,1-difluoroethyl)-5-[(4-ethylpyrazol-1-yl)methyl]-1-methylpyrazole

3-(1,1-difluoroethyl)-5-[(4-ethylpyrazol-1-yl)methyl]-1-methylpyrazole (PubChem CID 170363017) has the molecular formula C12H16F2N4 and a molecular weight of 254.28 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-[(4-ethylpyrazol-1-yl)methyl]-1-methylpyrazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-[(4-ethylpyrazol-1-yl)methyl]-1-methylpyrazole
PubChem CID170363017
Molecular FormulaC12H16F2N4
Molecular Weight254.28 g/mol
Exact Mass254.13
IUPAC Name3-(1,1-difluoroethyl)-5-[(4-ethylpyrazol-1-yl)methyl]-1-methylpyrazole
SMILESCCc1cnn(Cc2cc(C(C)(F)F)nn2C)c1
InChIInChI=1S/C12H16F2N4/c1-4-9-6-15-18(7-9)8-10-5-11(12(2,13)14)16-17(10)3/h5-7H,4,8H2,1-3H3
InChIKeyRREUVOYVONZGKE-UHFFFAOYSA-N
XLogP2.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-[(4-ethylpyrazol-1-yl)methyl]-1-methylpyrazole?
The IUPAC name of 3-(1,1-difluoroethyl)-5-[(4-ethylpyrazol-1-yl)methyl]-1-methylpyrazole (CID 170363017) is 3-(1,1-difluoroethyl)-5-[(4-ethylpyrazol-1-yl)methyl]-1-methylpyrazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-[(4-ethylpyrazol-1-yl)methyl]-1-methylpyrazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-[(4-ethylpyrazol-1-yl)methyl]-1-methylpyrazole is CCc1cnn(Cc2cc(C(C)(F)F)nn2C)c1.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-[(4-ethylpyrazol-1-yl)methyl]-1-methylpyrazole?
The InChIKey is RREUVOYVONZGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4/c1-4-9-6-15-18(7-9)8-10-5-11(12(2,13)14)16-17(10)3/h5-7H,4,8H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-5-[(4-ethylpyrazol-1-yl)methyl]-1-methylpyrazole?
3-(1,1-difluoroethyl)-5-[(4-ethylpyrazol-1-yl)methyl]-1-methylpyrazole has a molecular weight of 254.28 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-[(4-ethylpyrazol-1-yl)methyl]-1-methylpyrazole is sourced from PubChem (CID 170363017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).