N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine

C16H20ClN3 — CID 62447884

IUPACN-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCc1nn(Cc2ccc(CNC3CC3)cc2)c(C)c1Cl
InChIInChI=1S/C16H20ClN3/c1-11-16(17)12(2)20(19-11)10-14-5-3-13(4-6-14)9-18-15-7-8-15/h3-6,15,18H,7-10H2,1-2H3
InChIKeyZIOMAALHYPDUTO-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.45
Rot. Bonds5

About N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine

N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62447884) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine
PubChem CID62447884
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC NameN-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine
SMILESCc1nn(Cc2ccc(CNC3CC3)cc2)c(C)c1Cl
InChIInChI=1S/C16H20ClN3/c1-11-16(17)12(2)20(19-11)10-14-5-3-13(4-6-14)9-18-15-7-8-15/h3-6,15,18H,7-10H2,1-2H3
InChIKeyZIOMAALHYPDUTO-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43648043
N-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43410533
[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]boronic acid
CID 55038605
N-[[4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62351103
N-[[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 43648088
N-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 43648091
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]cyclohexanamine
CID 62565084
N-[[1-[(4-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 114851495
N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 81150635
N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 66441513
2-bromo-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]aniline
CID 115557341
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62446739

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine (CID 62447884) is N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine is Cc1nn(Cc2ccc(CNC3CC3)cc2)c(C)c1Cl.
What is the InChIKey of N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is ZIOMAALHYPDUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-11-16(17)12(2)20(19-11)10-14-5-3-13(4-6-14)9-18-15-7-8-15/h3-6,15,18H,7-10H2,1-2H3.
What are the key properties of N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine?
N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 289.81 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62447884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).