N'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine

C14H20N4 — CID 114252240

IUPACN'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine
SMILESCCn1ccc(NCC(CN)c2ccccc2)n1
InChIInChI=1S/C14H20N4/c1-2-18-9-8-14(17-18)16-11-13(10-15)12-6-4-3-5-7-12/h3-9,13H,2,10-11,15H2,1H3,(H,16,17)
InChIKeyISWDHFZCDQEDIF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.06
Rot. Bonds6

About N'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine

N'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine (PubChem CID 114252240) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine
PubChem CID114252240
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine
SMILESCCn1ccc(NCC(CN)c2ccccc2)n1
InChIInChI=1S/C14H20N4/c1-2-18-9-8-14(17-18)16-11-13(10-15)12-6-4-3-5-7-12/h3-9,13H,2,10-11,15H2,1H3,(H,16,17)
InChIKeyISWDHFZCDQEDIF-UHFFFAOYSA-N
XLogP2.06
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine 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

1-ethyl-N-(2-phenylpropyl)pyrazol-3-amine
CID 114251829
3-[(1-ethylpyrazol-3-yl)amino]-2-methylpropanenitrile
CID 130496237
1-ethyl-N-(1-phenylpropan-2-yl)pyrazol-3-amine
CID 114251813
N'-(3-ethylpentan-3-yl)-2-phenylpropane-1,3-diamine
CID 65041354
1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine
CID 130496222
2-methyl-N'-(1-methylpyrazol-3-yl)-1-phenylpropane-1,3-diamine
CID 103568647
N-butan-2-yl-1-ethylpyrazol-3-amine
CID 130496120
1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 114252049
2-[(1-ethylpyrazol-3-yl)amino]propanenitrile
CID 130496243
2-phenylpentan-1-amine
CID 14321247
N',N'-diethyl-2-phenylpropane-1,3-diamine
CID 43532107
N-(1,1-difluoropropan-2-yl)-1-ethylpyrazol-3-amine
CID 130496141

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine?
The IUPAC name of N'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine (CID 114252240) is N'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine is CCn1ccc(NCC(CN)c2ccccc2)n1.
What is the InChIKey of N'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine?
The InChIKey is ISWDHFZCDQEDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-18-9-8-14(17-18)16-11-13(10-15)12-6-4-3-5-7-12/h3-9,13H,2,10-11,15H2,1H3,(H,16,17).
What are the key properties of N'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine?
N'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethylpyrazol-3-yl)-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 114252240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).