N-[[4-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine

C17H23Cl2N3O — CID 144741643

IUPACN-[[4-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1[nH]ncc1-c1cc(Cl)c(OC(C)C)c(Cl)c1
InChIInChI=1S/C17H23Cl2N3O/c1-5-6-22(4)10-16-13(9-20-21-16)12-7-14(18)17(15(19)8-12)23-11(2)3/h7-9,11H,5-6,10H2,1-4H3,(H,20,21)
InChIKeyNHMNIOHZXKKGOJ-UHFFFAOYSA-N
MW356.30 g/mol
LogP5.01
Rot. Bonds7

About N-[[4-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine

N-[[4-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine (PubChem CID 144741643) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is N-[[4-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine
PubChem CID144741643
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC NameN-[[4-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1[nH]ncc1-c1cc(Cl)c(OC(C)C)c(Cl)c1
InChIInChI=1S/C17H23Cl2N3O/c1-5-6-22(4)10-16-13(9-20-21-16)12-7-14(18)17(15(19)8-12)23-11(2)3/h7-9,11H,5-6,10H2,1-4H3,(H,20,21)
InChIKeyNHMNIOHZXKKGOJ-UHFFFAOYSA-N
XLogP5.01
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.30
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine with MolForge

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Related Compounds

N'-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine
CID 122180641
N-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine
CID 144721901
N-[[4-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N-methylbutan-1-amine
CID 158321152
N-methyl-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 121442678
2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole
CID 110539783
N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 86301376
1-(3,5-dichloro-4-propan-2-yloxyphenyl)butan-1-ol
CID 83953068
N-[[5-(2-chloro-5-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(4-cyclopropylphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine;N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine
CID 158716302
5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509805
N-methyl-5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]-N-propan-2-ylpyridin-2-amine
CID 118122192
4-(3,5-dichloro-4-propan-2-yloxyphenyl)-4-oxobutanoic acid
CID 82550795
(3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane
CID 158865667

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[[4-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine (CID 144741643) is N-[[4-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[[4-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine is CCCN(C)Cc1[nH]ncc1-c1cc(Cl)c(OC(C)C)c(Cl)c1.
What is the InChIKey of N-[[4-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine?
The InChIKey is NHMNIOHZXKKGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O/c1-5-6-22(4)10-16-13(9-20-21-16)12-7-14(18)17(15(19)8-12)23-11(2)3/h7-9,11H,5-6,10H2,1-4H3,(H,20,21).
What are the key properties of N-[[4-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine?
N-[[4-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine has a molecular weight of 356.30 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 144741643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).