N-[[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine

C14H15ClFN3 — CID 114859878

IUPACN-[[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
SMILESFc1cc(Cl)ccc1Cn1nccc1CNC1CC1
InChIInChI=1S/C14H15ClFN3/c15-11-2-1-10(14(16)7-11)9-19-13(5-6-18-19)8-17-12-3-4-12/h1-2,5-7,12,17H,3-4,8-9H2
InChIKeyUZYTUBDZEWTJCM-UHFFFAOYSA-N
MW279.75 g/mol
LogP2.98
Rot. Bonds5

About N-[[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine

N-[[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 114859878) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is N-[[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID114859878
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC NameN-[[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
SMILESFc1cc(Cl)ccc1Cn1nccc1CNC1CC1
InChIInChI=1S/C14H15ClFN3/c15-11-2-1-10(14(16)7-11)9-19-13(5-6-18-19)8-17-12-3-4-12/h1-2,5-7,12,17H,3-4,8-9H2
InChIKeyUZYTUBDZEWTJCM-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-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-[[2-[(2-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 112654505
N-[[2-[(2-chloro-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 106870096
N-[[1-[(4-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 114851495
N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 103050367
N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 103041561
N-[(4-chloro-2-fluorophenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 114842413
2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 114841998
N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
CID 63962452
2-(4-chloro-2-fluorophenyl)-N-cyclopropylacetamide
CID 56920036
N-[(2,3,4-trifluorophenyl)methyl]cyclopropanamine
CID 63969871
N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66146075
N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 103041569

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine (CID 114859878) is N-[[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine is Fc1cc(Cl)ccc1Cn1nccc1CNC1CC1.
What is the InChIKey of N-[[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is UZYTUBDZEWTJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c15-11-2-1-10(14(16)7-11)9-19-13(5-6-18-19)8-17-12-3-4-12/h1-2,5-7,12,17H,3-4,8-9H2.
What are the key properties of N-[[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
N-[[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine has a molecular weight of 279.75 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114859878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).