N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine

C15H20Cl2N4 — CID 105180389

IUPACN-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(C)nn(C)c1Cl)c1ccncc1Cl
InChIInChI=1S/C15H20Cl2N4/c1-4-6-19-14(11-5-7-18-9-13(11)16)8-12-10(2)20-21(3)15(12)17/h5,7,9,14,19H,4,6,8H2,1-3H3
InChIKeyVBVPNTDMHWXFFT-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.71
Rot. Bonds6

About N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine

N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine (PubChem CID 105180389) has the molecular formula C15H20Cl2N4 and a molecular weight of 327.26 g/mol. Its IUPAC name is N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
PubChem CID105180389
Molecular FormulaC15H20Cl2N4
Molecular Weight327.26 g/mol
Exact Mass326.11
IUPAC NameN-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(C)nn(C)c1Cl)c1ccncc1Cl
InChIInChI=1S/C15H20Cl2N4/c1-4-6-19-14(11-5-7-18-9-13(11)16)8-12-10(2)20-21(3)15(12)17/h5,7,9,14,19H,4,6,8H2,1-3H3
InChIKeyVBVPNTDMHWXFFT-UHFFFAOYSA-N
XLogP3.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine with MolForge

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Related Compounds

N-[1-(3-fluoro-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105181891
N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105096539
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106858543
N-[2-(3-chloro-4-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105157390
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105160960
N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105180346
N-[1-(3-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 105160466
N-[2-(4-chloro-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 107892473
1-(3-chloro-4-pyridinyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 105146058
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-1-pyridin-3-ylethanamine
CID 113470221
N-[1-(3-chloro-4-pyridinyl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107654
1-(3-chloro-4-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 105078256

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine (CID 105180389) is N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine is CCCNC(Cc1c(C)nn(C)c1Cl)c1ccncc1Cl.
What is the InChIKey of N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine?
The InChIKey is VBVPNTDMHWXFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N4/c1-4-6-19-14(11-5-7-18-9-13(11)16)8-12-10(2)20-21(3)15(12)17/h5,7,9,14,19H,4,6,8H2,1-3H3.
What are the key properties of N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine?
N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine has a molecular weight of 327.26 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine is sourced from PubChem (CID 105180389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).