N-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine

C14H15Cl2N3 — CID 65315951

IUPACN-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
SMILESClc1ccc(Cl)c(Cn2ccc(CNC3CC3)n2)c1
InChIInChI=1S/C14H15Cl2N3/c15-11-1-4-14(16)10(7-11)9-19-6-5-13(18-19)8-17-12-2-3-12/h1,4-7,12,17H,2-3,8-9H2
InChIKeyBLBFCWVFMOZWKB-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.49
Rot. Bonds5

About N-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine

N-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 65315951) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is N-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID65315951
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC NameN-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
SMILESClc1ccc(Cl)c(Cn2ccc(CNC3CC3)n2)c1
InChIInChI=1S/C14H15Cl2N3/c15-11-1-4-14(16)10(7-11)9-19-6-5-13(18-19)8-17-12-2-3-12/h1,4-7,12,17H,2-3,8-9H2
InChIKeyBLBFCWVFMOZWKB-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 105409582
N-[(2,5-dichlorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 65316304
1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine
CID 42281976
N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 81272307
N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 65316024
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193225
N-[[1-(2-methylprop-2-enyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 79186563
N-[[1-(2-ethylbutyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 82925368
N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 114854126
N-[[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 102620396
N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 65317442
N-[[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 114864936

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine (CID 65315951) is N-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine is Clc1ccc(Cl)c(Cn2ccc(CNC3CC3)n2)c1.
What is the InChIKey of N-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is BLBFCWVFMOZWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c15-11-1-4-14(16)10(7-11)9-19-6-5-13(18-19)8-17-12-2-3-12/h1,4-7,12,17H,2-3,8-9H2.
What are the key properties of N-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
N-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine has a molecular weight of 296.20 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65315951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).