N-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine

C12H13FN4 — CID 83129453

IUPACN-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
SMILESFc1ccc(-c2[nH]ncc2CNC2CC2)nc1
InChIInChI=1S/C12H13FN4/c13-9-1-4-11(15-7-9)12-8(6-16-17-12)5-14-10-2-3-10/h1,4,6-7,10,14H,2-3,5H2,(H,16,17)
InChIKeyBJDFXAYWYWZYRI-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.86
Rot. Bonds4

About N-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine

N-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 83129453) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is N-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID83129453
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC NameN-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
SMILESFc1ccc(-c2[nH]ncc2CNC2CC2)nc1
InChIInChI=1S/C12H13FN4/c13-9-1-4-11(15-7-9)12-8(6-16-17-12)5-14-10-2-3-10/h1,4,6-7,10,14H,2-3,5H2,(H,16,17)
InChIKeyBJDFXAYWYWZYRI-UHFFFAOYSA-N
XLogP1.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 79485179
N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 82973618
N-[[5-(2-bromophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 79485095
4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 47114367
N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine
CID 79490409
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine
CID 62416311
N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 79485255
4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride
CID 56827879
4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509868
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 114544063
3-(4-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
CID 54896470
N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 114035526

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine (CID 83129453) is N-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine is Fc1ccc(-c2[nH]ncc2CNC2CC2)nc1.
What is the InChIKey of N-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is BJDFXAYWYWZYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c13-9-1-4-11(15-7-9)12-8(6-16-17-12)5-14-10-2-3-10/h1,4,6-7,10,14H,2-3,5H2,(H,16,17).
What are the key properties of N-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
N-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 232.26 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 83129453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).