N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine

C14H25ClN4 — CID 131936631

IUPACN-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCN1CCC(CN(CC)Cc2n[nH]c(C)c2Cl)C1
InChIInChI=1S/C14H25ClN4/c1-4-18-7-6-12(8-18)9-19(5-2)10-13-14(15)11(3)16-17-13/h12H,4-10H2,1-3H3,(H,16,17)
InChIKeyJHMFDNSGEUOZIJ-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.54
Rot. Bonds6

About N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine

N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 131936631) has the molecular formula C14H25ClN4 and a molecular weight of 284.83 g/mol. Its IUPAC name is N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID131936631
Molecular FormulaC14H25ClN4
Molecular Weight284.83 g/mol
Exact Mass284.18
IUPAC NameN-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
SMILESCCN1CCC(CN(CC)Cc2n[nH]c(C)c2Cl)C1
InChIInChI=1S/C14H25ClN4/c1-4-18-7-6-12(8-18)9-19(5-2)10-13-14(15)11(3)16-17-13/h12H,4-10H2,1-3H3,(H,16,17)
InChIKeyJHMFDNSGEUOZIJ-UHFFFAOYSA-N
XLogP2.54
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine (CID 131936631) is N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine is CCN1CCC(CN(CC)Cc2n[nH]c(C)c2Cl)C1.
What is the InChIKey of N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is JHMFDNSGEUOZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4/c1-4-18-7-6-12(8-18)9-19(5-2)10-13-14(15)11(3)16-17-13/h12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine?
N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 284.83 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 131936631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).