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

C14H15ClFN3 — CID 112654505

IUPACN-[[2-[(2-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
SMILESFc1cccc(Cn2nccc2CNC2CC2)c1Cl
InChIInChI=1S/C14H15ClFN3/c15-14-10(2-1-3-13(14)16)9-19-12(6-7-18-19)8-17-11-4-5-11/h1-3,6-7,11,17H,4-5,8-9H2
InChIKeyHLEJLQOHXFRKFJ-UHFFFAOYSA-N
MW279.75 g/mol
LogP2.98
Rot. Bonds5

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

N-[[2-[(2-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 112654505) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is N-[[2-[(2-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID112654505
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC NameN-[[2-[(2-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
SMILESFc1cccc(Cn2nccc2CNC2CC2)c1Cl
InChIInChI=1S/C14H15ClFN3/c15-14-10(2-1-3-13(14)16)9-19-12(6-7-18-19)8-17-11-4-5-11/h1-3,6-7,11,17H,4-5,8-9H2
InChIKeyHLEJLQOHXFRKFJ-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

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Related Compounds

N-[[2-[(4-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 114859878
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
N-[[2-[(2-chloro-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 106870096
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 112651913
4-[(2-chloro-3-fluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 112651890
N-[(2,3-dichlorophenyl)methyl]oxan-4-amine
CID 43609707
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 112651828
4-ethyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555631
4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555646
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 112654135
N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 112652013

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine (CID 112654505) is N-[[2-[(2-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine is Fc1cccc(Cn2nccc2CNC2CC2)c1Cl.
What is the InChIKey of N-[[2-[(2-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is HLEJLQOHXFRKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c15-14-10(2-1-3-13(14)16)9-19-12(6-7-18-19)8-17-11-4-5-11/h1-3,6-7,11,17H,4-5,8-9H2.
What are the key properties of N-[[2-[(2-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
N-[[2-[(2-chloro-3-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-[(2-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 112654505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).