1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine

C13H15Cl2N3 — CID 61284688

IUPAC1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccn[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3/c1-2-13(16-8-10-5-6-17-18-10)9-3-4-11(14)12(15)7-9/h3-7,13,16H,2,8H2,1H3,(H,17,18)
InChIKeyBBBWZQZLUZICMF-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.96
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine

1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine (PubChem CID 61284688) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
PubChem CID61284688
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccn[nH]1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3/c1-2-13(16-8-10-5-6-17-18-10)9-3-4-11(14)12(15)7-9/h3-7,13,16H,2,8H2,1H3,(H,17,18)
InChIKeyBBBWZQZLUZICMF-UHFFFAOYSA-N
XLogP3.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
1-(3,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 62996155
N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
CID 60888195
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43754801
1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913520
1-(3,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 60872413
2-[1-(3,4-dichlorophenyl)propylamino]acetamide
CID 43754703
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753
N-(1H-pyrazol-5-ylmethyl)heptan-3-amine
CID 63946149
2-(3-methoxyphenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111467784
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757507

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine (CID 61284688) is 1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine is CCC(NCc1ccn[nH]1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The InChIKey is BBBWZQZLUZICMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-2-13(16-8-10-5-6-17-18-10)9-3-4-11(14)12(15)7-9/h3-7,13,16H,2,8H2,1H3,(H,17,18).
What are the key properties of 1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine has a molecular weight of 284.19 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 61284688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).