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

C15H24ClN5 — CID 56713756

IUPACN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
SMILESCc1cc(C)n(CC(C)NCCn2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C15H24ClN5/c1-10-8-12(3)21(18-10)9-11(2)17-6-7-20-14(5)15(16)13(4)19-20/h8,11,17H,6-7,9H2,1-5H3
InChIKeyJFJAMPNJKYCLNH-UHFFFAOYSA-N
MW309.85 g/mol
LogP2.64
Rot. Bonds6

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

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine (PubChem CID 56713756) has the molecular formula C15H24ClN5 and a molecular weight of 309.85 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
PubChem CID56713756
Molecular FormulaC15H24ClN5
Molecular Weight309.85 g/mol
Exact Mass309.17
IUPAC NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
SMILESCc1cc(C)n(CC(C)NCCn2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C15H24ClN5/c1-10-8-12(3)21(18-10)9-11(2)17-6-7-20-14(5)15(16)13(4)19-20/h8,11,17H,6-7,9H2,1-5H3
InChIKeyJFJAMPNJKYCLNH-UHFFFAOYSA-N
XLogP2.64
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 52.64
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-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine (CID 56713756) is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine is Cc1cc(C)n(CC(C)NCCn2nc(C)c(Cl)c2C)n1.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The InChIKey is JFJAMPNJKYCLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5/c1-10-8-12(3)21(18-10)9-11(2)17-6-7-20-14(5)15(16)13(4)19-20/h8,11,17H,6-7,9H2,1-5H3.
What are the key properties of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine has a molecular weight of 309.85 g/mol, XLogP of 2.64, 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-(3,5-dimethylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 56713756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).