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

C16H23ClN4 — CID 105157390

IUPACN-[2-(3-chloro-4-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1Cl)c1c(C)nn(C)c1C
InChIInChI=1S/C16H23ClN4/c1-5-7-19-15(9-13-6-8-18-10-14(13)17)16-11(2)20-21(4)12(16)3/h6,8,10,15,19H,5,7,9H2,1-4H3
InChIKeySMOSGFSMDLENGS-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.37
Rot. Bonds6

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

N-[2-(3-chloro-4-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 105157390) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[2-(3-chloro-4-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chloro-4-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID105157390
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC NameN-[2-(3-chloro-4-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1Cl)c1c(C)nn(C)c1C
InChIInChI=1S/C16H23ClN4/c1-5-7-19-15(9-13-6-8-18-10-14(13)17)16-11(2)20-21(4)12(16)3/h6,8,10,15,19H,5,7,9H2,1-4H3
InChIKeySMOSGFSMDLENGS-UHFFFAOYSA-N
XLogP3.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105087534
N-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105180389
N-ethyl-2-pyridin-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105179874
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105158598
N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105137535
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105125446
N-[2-(3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105095880
N-[2-(2-chlorophenyl)-1-(3-chloro-4-pyridinyl)ethyl]propan-1-amine
CID 105096539
3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 103031013
N-[1-(3-fluoro-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105181891
[2-(3-chloro-4-pyridinyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 102805005
2-(2,3-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107311906

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chloro-4-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine (CID 105157390) is N-[2-(3-chloro-4-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chloro-4-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chloro-4-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1ccncc1Cl)c1c(C)nn(C)c1C.
What is the InChIKey of N-[2-(3-chloro-4-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is SMOSGFSMDLENGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-5-7-19-15(9-13-6-8-18-10-14(13)17)16-11(2)20-21(4)12(16)3/h6,8,10,15,19H,5,7,9H2,1-4H3.
What are the key properties of N-[2-(3-chloro-4-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine?
N-[2-(3-chloro-4-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 306.84 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105157390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).