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

C13H20ClN5 — CID 56718658

IUPACN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-imidazol-1-ylpropan-2-amine
SMILESCc1nn(CCNC(C)Cn2ccnc2)c(C)c1Cl
InChIInChI=1S/C13H20ClN5/c1-10(8-18-6-4-15-9-18)16-5-7-19-12(3)13(14)11(2)17-19/h4,6,9-10,16H,5,7-8H2,1-3H3
InChIKeyWOQNECLKIYGDGT-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.03
Rot. Bonds6

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

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-imidazol-1-ylpropan-2-amine (PubChem CID 56718658) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-imidazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-imidazol-1-ylpropan-2-amine
PubChem CID56718658
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-imidazol-1-ylpropan-2-amine
SMILESCc1nn(CCNC(C)Cn2ccnc2)c(C)c1Cl
InChIInChI=1S/C13H20ClN5/c1-10(8-18-6-4-15-9-18)16-5-7-19-12(3)13(14)11(2)17-19/h4,6,9-10,16H,5,7-8H2,1-3H3
InChIKeyWOQNECLKIYGDGT-UHFFFAOYSA-N
XLogP2.03
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-imidazol-1-ylpropan-2-amine?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-imidazol-1-ylpropan-2-amine (CID 56718658) is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-imidazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-imidazol-1-ylpropan-2-amine?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-imidazol-1-ylpropan-2-amine is Cc1nn(CCNC(C)Cn2ccnc2)c(C)c1Cl.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-imidazol-1-ylpropan-2-amine?
The InChIKey is WOQNECLKIYGDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5/c1-10(8-18-6-4-15-9-18)16-5-7-19-12(3)13(14)11(2)17-19/h4,6,9-10,16H,5,7-8H2,1-3H3.
What are the key properties of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-imidazol-1-ylpropan-2-amine?
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-imidazol-1-ylpropan-2-amine has a molecular weight of 281.79 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-imidazol-1-ylpropan-2-amine is sourced from PubChem (CID 56718658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).