1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile

C14H13FN4 — CID 82586279

IUPAC1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
SMILESCN1CCc2c(c(C#N)nn2-c2ccc(F)cc2)C1
InChIInChI=1S/C14H13FN4/c1-18-7-6-14-12(9-18)13(8-16)17-19(14)11-4-2-10(15)3-5-11/h2-5H,6-7,9H2,1H3
InChIKeyIADOLTRPAPXHPW-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.87
Rot. Bonds1

About 1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile

1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile (PubChem CID 82586279) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
PubChem CID82586279
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
SMILESCN1CCc2c(c(C#N)nn2-c2ccc(F)cc2)C1
InChIInChI=1S/C14H13FN4/c1-18-7-6-14-12(9-18)13(8-16)17-19(14)11-4-2-10(15)3-5-11/h2-5H,6-7,9H2,1H3
InChIKeyIADOLTRPAPXHPW-UHFFFAOYSA-N
XLogP1.87
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carbonitrile
CID 105481958
5-methyl-1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82586281
3-(4-fluorophenyl)-5-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid
CID 76850829
1-benzyl-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82586237
1-[[4-(dimethylamino)phenyl]methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82586257
2-[4-(5-methyl-3-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]acetonitrile
CID 110458897
1-(3-bromo-4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonitrile
CID 170619632
2-(4-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
CID 105422324
2-(4-fluorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 2774699
3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 57221359
2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide
CID 75493488
1-[[4-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]phenyl]methyl]pyrrolidin-2-one
CID 24952307

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile (CID 82586279) is 1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile is CN1CCc2c(c(C#N)nn2-c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
The InChIKey is IADOLTRPAPXHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-18-7-6-14-12(9-18)13(8-16)17-19(14)11-4-2-10(15)3-5-11/h2-5H,6-7,9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile?
1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile has a molecular weight of 256.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 82586279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).