N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride

C13H18ClN3 — CID 126964810

IUPACN-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride
SMILESCCn1ncc(NCc2ccccc2)c1C.Cl
InChIInChI=1S/C13H17N3.ClH/c1-3-16-11(2)13(10-15-16)14-9-12-7-5-4-6-8-12;/h4-8,10,14H,3,9H2,1-2H3;1H
InChIKeyUBCUELOLRDDIMY-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.25
Rot. Bonds4

About N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride

N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride (PubChem CID 126964810) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride
PubChem CID126964810
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC NameN-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride
SMILESCCn1ncc(NCc2ccccc2)c1C.Cl
InChIInChI=1S/C13H17N3.ClH/c1-3-16-11(2)13(10-15-16)14-9-12-7-5-4-6-8-12;/h4-8,10,14H,3,9H2,1-2H3;1H
InChIKeyUBCUELOLRDDIMY-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride 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-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-methylpyrazol-4-amine;dihydrochloride
CID 126966596
3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol
CID 122168784
1-ethyl-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-5-methylpyrazol-4-amine
CID 122167136
1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine
CID 75442665
4-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]benzene-1,3-diol
CID 122168604
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine
CID 122166030
N-benzyl-1-ethyl-3-methylpyrazol-4-amine;hydrochloride
CID 126964772
1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 122166967
N-[(2,5-difluorophenyl)methyl]-1-ethyl-5-methylpyrazol-4-amine
CID 122168522
2-[[[1-(2-fluoroethyl)-5-methylpyrazol-4-yl]amino]methyl]phenol;hydrochloride
CID 126964065
4-benzylsulfanyl-1-ethyl-5-methylpyrazole
CID 167575635
4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one
CID 114437248

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride?
The IUPAC name of N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride (CID 126964810) is N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride?
The canonical SMILES for N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride is CCn1ncc(NCc2ccccc2)c1C.Cl.
What is the InChIKey of N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride?
The InChIKey is UBCUELOLRDDIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.ClH/c1-3-16-11(2)13(10-15-16)14-9-12-7-5-4-6-8-12;/h4-8,10,14H,3,9H2,1-2H3;1H.
What are the key properties of N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride?
N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126964810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).