N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine

C13H18N4 — CID 80688590

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
SMILESCn1cc(CCNCCc2ccncc2)cn1
InChIInChI=1S/C13H18N4/c1-17-11-13(10-16-17)5-9-15-8-4-12-2-6-14-7-3-12/h2-3,6-7,10-11,15H,4-5,8-9H2,1H3
InChIKeyLDEITWVTXLBTHM-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.19
Rot. Bonds6

About N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine

N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine (PubChem CID 80688590) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
PubChem CID80688590
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
SMILESCn1cc(CCNCCc2ccncc2)cn1
InChIInChI=1S/C13H18N4/c1-17-11-13(10-16-17)5-9-15-8-4-12-2-6-14-7-3-12/h2-3,6-7,10-11,15H,4-5,8-9H2,1H3
InChIKeyLDEITWVTXLBTHM-UHFFFAOYSA-N
XLogP1.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine 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

2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 79003445
2-(1-methylpyrazol-3-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 106104866
3-imidazol-1-yl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 80689787
N-[(1-methylpyrazol-4-yl)methyl]-2-phenylethanamine;hydrochloride
CID 126966836
6-bromo-N-[2-(1-methylpyrazol-4-yl)ethyl]hexan-1-amine
CID 107844230
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-methylsulfanylbutan-1-amine
CID 103002144
4-[2-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenol
CID 61238205
3-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 103002222
N-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730059
4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 103009812
N'-cyclopentyl-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethane-1,2-diamine
CID 103001382
N-[(1-methylcyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 106813065

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine (CID 80688590) is N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine is Cn1cc(CCNCCc2ccncc2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine?
The InChIKey is LDEITWVTXLBTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-17-11-13(10-16-17)5-9-15-8-4-12-2-6-14-7-3-12/h2-3,6-7,10-11,15H,4-5,8-9H2,1H3.
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine?
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine has a molecular weight of 230.32 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 80688590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).