N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanamine

C18H23FN4 — CID 42806472

IUPACN-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanamine
SMILESCCN1CCc2c(c(CNC3CC3)nn2-c2cccc(F)c2)C1
InChIInChI=1S/C18H23FN4/c1-2-22-9-8-18-16(12-22)17(11-20-14-6-7-14)21-23(18)15-5-3-4-13(19)10-15/h3-5,10,14,20H,2,6-9,11-12H2,1H3
InChIKeyIHANKRJJBJQPOX-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.64
Rot. Bonds5

About N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanamine

N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanamine (PubChem CID 42806472) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanamine
PubChem CID42806472
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC NameN-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanamine
SMILESCCN1CCc2c(c(CNC3CC3)nn2-c2cccc(F)c2)C1
InChIInChI=1S/C18H23FN4/c1-2-22-9-8-18-16(12-22)17(11-20-14-6-7-14)21-23(18)15-5-3-4-13(19)10-15/h3-5,10,14,20H,2,6-9,11-12H2,1H3
InChIKeyIHANKRJJBJQPOX-UHFFFAOYSA-N
XLogP2.64
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-fluorophenyl)-5-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-N-methylmethanamine
CID 42871509
1-cyclopropyl-1-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-prop-2-enylurea
CID 42806494
N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide
CID 42871681
N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-fluorobenzamide
CID 46074295
N-[[1-(3-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3,5-dimethoxy-N-methylbenzamide
CID 42806590
N-[[5-benzyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-(4-methoxyphenyl)acetamide
CID 42871700
N-ethyl-N-[[1-(3-fluorophenyl)-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-3-nitrobenzamide
CID 42806443
N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 46074337
N-[[1-(3-chlorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-cyclopropyl-2-methylpropanamide
CID 42806556
N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-2-methoxybenzamide
CID 46074300
1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16773246
3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521680

Frequently Asked Questions

What is the IUPAC name of N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanamine (CID 42806472) is N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanamine is CCN1CCc2c(c(CNC3CC3)nn2-c2cccc(F)c2)C1.
What is the InChIKey of N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanamine?
The InChIKey is IHANKRJJBJQPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-2-22-9-8-18-16(12-22)17(11-20-14-6-7-14)21-23(18)15-5-3-4-13(19)10-15/h3-5,10,14,20H,2,6-9,11-12H2,1H3.
What are the key properties of N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanamine?
N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanamine has a molecular weight of 314.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 42806472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).