2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine

C15H22N4 — CID 107441576

IUPAC2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine
SMILESCC(C)C(CN)CNc1ccccc1-n1cccn1
InChIInChI=1S/C15H22N4/c1-12(2)13(10-16)11-17-14-6-3-4-7-15(14)19-9-5-8-18-19/h3-9,12-13,17H,10-11,16H2,1-2H3
InChIKeyZQGIZBSUGRBLJR-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.52
Rot. Bonds6

About 2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine

2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine (PubChem CID 107441576) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine
PubChem CID107441576
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine
SMILESCC(C)C(CN)CNc1ccccc1-n1cccn1
InChIInChI=1S/C15H22N4/c1-12(2)13(10-16)11-17-14-6-3-4-7-15(14)19-9-5-8-18-19/h3-9,12-13,17H,10-11,16H2,1-2H3
InChIKeyZQGIZBSUGRBLJR-UHFFFAOYSA-N
XLogP2.52
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine
CID 107441483
3-amino-N-(2-pyrazol-1-ylphenyl)butanamide
CID 60837811
4-amino-N-(2-pyrazol-1-ylphenyl)pentanamide;hydrochloride
CID 120558593
4-amino-3-methoxy-N-(2-pyrazol-1-ylphenyl)butanamide;hydrochloride
CID 120586313
5-(2-pyrazol-1-ylanilino)pentan-1-ol
CID 111770347
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline
CID 114555172
N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43784031
N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705696
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 55114545
2-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]sulfanylacetamide
CID 107441649
N-(4-propan-2-ylphenyl)-2-(2-pyrazol-1-ylanilino)acetamide
CID 55897440
(1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol
CID 96762406

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine?
The IUPAC name of 2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine (CID 107441576) is 2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine.
What is the SMILES notation for 2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine?
The canonical SMILES for 2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine is CC(C)C(CN)CNc1ccccc1-n1cccn1.
What is the InChIKey of 2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine?
The InChIKey is ZQGIZBSUGRBLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(2)13(10-16)11-17-14-6-3-4-7-15(14)19-9-5-8-18-19/h3-9,12-13,17H,10-11,16H2,1-2H3.
What are the key properties of 2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine?
2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine is sourced from PubChem (CID 107441576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).