N-(3-chlorophenyl)formamide;3-(2-fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C20H20ClFN4O — CID 145116789

IUPACN-(3-chlorophenyl)formamide;3-(2-fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCN1CCc2[nH]nc(-c3ccccc3F)c2C1.O=CNc1cccc(Cl)c1
InChIInChI=1S/C13H14FN3.C7H6ClNO/c1-17-7-6-12-10(8-17)13(16-15-12)9-4-2-3-5-11(9)14;8-6-2-1-3-7(4-6)9-5-10/h2-5H,6-8H2,1H3,(H,15,16);1-5H,(H,9,10)
InChIKeyXZTMVAFHVAHESY-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.11
Rot. Bonds3

About N-(3-chlorophenyl)formamide;3-(2-fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

N-(3-chlorophenyl)formamide;3-(2-fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 145116789) has the molecular formula C20H20ClFN4O and a molecular weight of 386.86 g/mol. Its IUPAC name is N-(3-chlorophenyl)formamide;3-(2-fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound NameN-(3-chlorophenyl)formamide;3-(2-fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID145116789
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC NameN-(3-chlorophenyl)formamide;3-(2-fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCN1CCc2[nH]nc(-c3ccccc3F)c2C1.O=CNc1cccc(Cl)c1
InChIInChI=1S/C13H14FN3.C7H6ClNO/c1-17-7-6-12-10(8-17)13(16-15-12)9-4-2-3-5-11(9)14;8-6-2-1-3-7(4-6)9-5-10/h2-5H,6-8H2,1H3,(H,15,16);1-5H,(H,9,10)
InChIKeyXZTMVAFHVAHESY-UHFFFAOYSA-N
XLogP4.11
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluorophenyl)-5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110540065
N-(3-chlorophenyl)-3-(2-fluoro-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435101
N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide
CID 42517587
1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone
CID 42455062
2-amino-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 56750876
N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442811
(2R)-2-amino-1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenylethanone
CID 56754577
5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539764
[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylindol-3-yl)methanone
CID 46994611
N-(3-chlorophenyl)-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442798
1-[2-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]pyrrolidin-2-one
CID 25287605
3-(3-chlorophenyl)-5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 108780213

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)formamide;3-(2-fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of N-(3-chlorophenyl)formamide;3-(2-fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 145116789) is N-(3-chlorophenyl)formamide;3-(2-fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for N-(3-chlorophenyl)formamide;3-(2-fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for N-(3-chlorophenyl)formamide;3-(2-fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CN1CCc2[nH]nc(-c3ccccc3F)c2C1.O=CNc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)formamide;3-(2-fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is XZTMVAFHVAHESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3.C7H6ClNO/c1-17-7-6-12-10(8-17)13(16-15-12)9-4-2-3-5-11(9)14;8-6-2-1-3-7(4-6)9-5-10/h2-5H,6-8H2,1H3,(H,15,16);1-5H,(H,9,10).
What are the key properties of N-(3-chlorophenyl)formamide;3-(2-fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
N-(3-chlorophenyl)formamide;3-(2-fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 386.86 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)formamide;3-(2-fluorophenyl)-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 145116789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).