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

C15H18ClN3 — CID 106870096

IUPACN-[[2-[(2-chloro-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
SMILESCc1ccc(Cn2nccc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C15H18ClN3/c1-11-2-3-12(15(16)8-11)10-19-14(6-7-18-19)9-17-13-4-5-13/h2-3,6-8,13,17H,4-5,9-10H2,1H3
InChIKeyAQPILEUWCJMWGF-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.15
Rot. Bonds5

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

N-[[2-[(2-chloro-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 106870096) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[[2-[(2-chloro-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2-chloro-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID106870096
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-[[2-[(2-chloro-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
SMILESCc1ccc(Cn2nccc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C15H18ClN3/c1-11-2-3-12(15(16)8-11)10-19-14(6-7-18-19)9-17-13-4-5-13/h2-3,6-8,13,17H,4-5,9-10H2,1H3
InChIKeyAQPILEUWCJMWGF-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.15
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-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
N-[[2-[(2-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 112654505
N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 106862708
N-[(2-chloro-4-methylphenyl)methyl]-1-cyclopropylpyrrolidin-3-amine
CID 106862537
N-[(2-chloro-4-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 106863335
N-[(2-chloro-4-methylphenyl)methyl]thiolan-3-amine
CID 106863336
5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one
CID 106862663
4-ethyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555631
N-[[2-(3-ethoxypropyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 65178386
2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 106862345
4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555646

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chloro-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2-chloro-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine (CID 106870096) is N-[[2-[(2-chloro-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2-chloro-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2-chloro-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine is Cc1ccc(Cn2nccc2CNC2CC2)c(Cl)c1.
What is the InChIKey of N-[[2-[(2-chloro-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is AQPILEUWCJMWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11-2-3-12(15(16)8-11)10-19-14(6-7-18-19)9-17-13-4-5-13/h2-3,6-8,13,17H,4-5,9-10H2,1H3.
What are the key properties of N-[[2-[(2-chloro-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine?
N-[[2-[(2-chloro-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine has a molecular weight of 275.78 g/mol, XLogP of 3.15, 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-4-methylphenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106870096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).