N-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine

C14H17Cl2N3 — CID 79485539

IUPACN-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(C)nc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-9(2)17-7-10-8-19(3)18-14(10)12-6-11(15)4-5-13(12)16/h4-6,8-9,17H,7H2,1-3H3
InChIKeyAVOCTZMSNCICCC-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.89
Rot. Bonds4

About N-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine

N-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 79485539) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID79485539
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC NameN-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(C)nc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17Cl2N3/c1-9(2)17-7-10-8-19(3)18-14(10)12-6-11(15)4-5-13(12)16/h4-6,8-9,17H,7H2,1-3H3
InChIKeyAVOCTZMSNCICCC-UHFFFAOYSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79484639
N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79485379
N-[[5-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66158084
N-[[5-chloro-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66158284
N-[[3-(5-chlorothiophen-3-yl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 114083068
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine
CID 78971710
N-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
CID 66007664
N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79485381
N-[[3-(2-chloro-4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79493394
3-(2,5-dichlorophenyl)-1-(3-methylbutyl)pyrazole-4-carbaldehyde
CID 63566619
N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 114854134
N-[[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
CID 114854107

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine (CID 79485539) is N-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(C)nc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is AVOCTZMSNCICCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-9(2)17-7-10-8-19(3)18-14(10)12-6-11(15)4-5-13(12)16/h4-6,8-9,17H,7H2,1-3H3.
What are the key properties of N-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine?
N-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 298.22 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79485539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).