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

C15H17Cl2N3O — CID 60999932

IUPACN-[[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(C)c(Oc2ccc(Cl)c(Cl)c2)c1CNC1CC1
InChIInChI=1S/C15H17Cl2N3O/c1-9-12(8-18-10-3-4-10)15(20(2)19-9)21-11-5-6-13(16)14(17)7-11/h5-7,10,18H,3-4,8H2,1-2H3
InChIKeyLIMMDPZWLIMDGJ-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.08
Rot. Bonds5

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

N-[[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 60999932) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is N-[[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID60999932
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-[[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(C)c(Oc2ccc(Cl)c(Cl)c2)c1CNC1CC1
InChIInChI=1S/C15H17Cl2N3O/c1-9-12(8-18-10-3-4-10)15(20(2)19-9)21-11-5-6-13(16)14(17)7-11/h5-7,10,18H,3-4,8H2,1-2H3
InChIKeyLIMMDPZWLIMDGJ-UHFFFAOYSA-N
XLogP4.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43283266
N-[[5-(4-bromo-2-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43283559
[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 54898382
N-[[5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 43282341
N-[[1,3-dimethyl-5-(2-methylsulfanylphenoxy)pyrazol-4-yl]methyl]cyclopropanamine
CID 63648027
2-[5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 82726959
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-ethylcyclohexan-1-amine
CID 115584766
1-[1,3-dimethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-yl]-N-methylmethanamine
CID 61398675
5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazole-4-carboxylic acid
CID 61000631
N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151000
N-[[4-chloro-2-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114856520
N-[[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 43282981

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine (CID 60999932) is N-[[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine is Cc1nn(C)c(Oc2ccc(Cl)c(Cl)c2)c1CNC1CC1.
What is the InChIKey of N-[[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is LIMMDPZWLIMDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-9-12(8-18-10-3-4-10)15(20(2)19-9)21-11-5-6-13(16)14(17)7-11/h5-7,10,18H,3-4,8H2,1-2H3.
What are the key properties of N-[[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 326.23 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 60999932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).