N-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine

C16H19Cl2N3 — CID 43410533

IUPACN-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CNC1CC1
InChIInChI=1S/C16H19Cl2N3/c1-10-13(8-19-12-6-7-12)11(2)21(20-10)9-14-15(17)4-3-5-16(14)18/h3-5,12,19H,6-9H2,1-2H3
InChIKeyRABZSSMQMVOMJN-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.11
Rot. Bonds5

About N-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine

N-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 43410533) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID43410533
Molecular FormulaC16H19Cl2N3
Molecular Weight324.25 g/mol
Exact Mass323.10
IUPAC NameN-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CNC1CC1
InChIInChI=1S/C16H19Cl2N3/c1-10-13(8-19-12-6-7-12)11(2)21(20-10)9-14-15(17)4-3-5-16(14)18/h3-5,12,19H,6-9H2,1-2H3
InChIKeyRABZSSMQMVOMJN-UHFFFAOYSA-N
XLogP4.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.11
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-[[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 43648088
N-[[1-[(4-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 114851495
N-[[3,5-dimethyl-1-(pyridin-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 43648091
N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methylcyclopropan-1-amine
CID 119122258
N-[[3,5-dimethyl-1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 43648111
N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 43648107
N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62447884
N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648067
N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648066
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine (CID 43410533) is N-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine is Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CNC1CC1.
What is the InChIKey of N-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is RABZSSMQMVOMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-10-13(8-19-12-6-7-12)11(2)21(20-10)9-14-15(17)4-3-5-16(14)18/h3-5,12,19H,6-9H2,1-2H3.
What are the key properties of N-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 324.25 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 43410533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).