N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine

C13H13BrClN3 — CID 114854335

IUPACN-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine
SMILESClc1ccc(CNC2CC2)c(-n2cc(Br)cn2)c1
InChIInChI=1S/C13H13BrClN3/c14-10-7-17-18(8-10)13-5-11(15)2-1-9(13)6-16-12-3-4-12/h1-2,5,7-8,12,16H,3-4,6H2
InChIKeyVLKNHSANHPAXLU-UHFFFAOYSA-N
MW326.63 g/mol
LogP3.54
Rot. Bonds4

About N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine

N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine (PubChem CID 114854335) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine
PubChem CID114854335
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC NameN-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine
SMILESClc1ccc(CNC2CC2)c(-n2cc(Br)cn2)c1
InChIInChI=1S/C13H13BrClN3/c14-10-7-17-18(8-10)13-5-11(15)2-1-9(13)6-16-12-3-4-12/h1-2,5,7-8,12,16H,3-4,6H2
InChIKeyVLKNHSANHPAXLU-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-bromopyrazol-1-yl)-6-chlorophenyl]methyl]cyclopropanamine
CID 54910024
N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 114854553
N-[[4-(4-chloropyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81254178
1-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854289
N-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 55038787
N-[[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62487448
N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 81272307
N-[[1-(2-bromo-4-chlorophenyl)triazol-4-yl]methyl]cyclopropanamine
CID 81271668
N-[[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 114854661
2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114853355
N-[[2-[(5-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]methyl]cyclopropanamine
CID 114864888
N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270362

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine (CID 114854335) is N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine is Clc1ccc(CNC2CC2)c(-n2cc(Br)cn2)c1.
What is the InChIKey of N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine?
The InChIKey is VLKNHSANHPAXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c14-10-7-17-18(8-10)13-5-11(15)2-1-9(13)6-16-12-3-4-12/h1-2,5,7-8,12,16H,3-4,6H2.
What are the key properties of N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine?
N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine has a molecular weight of 326.63 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromopyrazol-1-yl)-4-chlorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114854335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).