N-[[2-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine

C17H27N5 — CID 90678236

IUPACN-[[2-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCc1cc(Nc2ccccc2CNCCCN(C)C)n(C)n1
InChIInChI=1S/C17H27N5/c1-14-12-17(22(4)20-14)19-16-9-6-5-8-15(16)13-18-10-7-11-21(2)3/h5-6,8-9,12,18-19H,7,10-11,13H2,1-4H3
InChIKeyOTPSXLPWVIIAME-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.51
Rot. Bonds8

About N-[[2-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine

N-[[2-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 90678236) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-[[2-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[[2-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID90678236
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC NameN-[[2-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCc1cc(Nc2ccccc2CNCCCN(C)C)n(C)n1
InChIInChI=1S/C17H27N5/c1-14-12-17(22(4)20-14)19-16-9-6-5-8-15(16)13-18-10-7-11-21(2)3/h5-6,8-9,12,18-19H,7,10-11,13H2,1-4H3
InChIKeyOTPSXLPWVIIAME-UHFFFAOYSA-N
XLogP2.51
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[[2-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine (CID 90678236) is N-[[2-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[[2-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[[2-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine is Cc1cc(Nc2ccccc2CNCCCN(C)C)n(C)n1.
What is the InChIKey of N-[[2-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is OTPSXLPWVIIAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-14-12-17(22(4)20-14)19-16-9-6-5-8-15(16)13-18-10-7-11-21(2)3/h5-6,8-9,12,18-19H,7,10-11,13H2,1-4H3.
What are the key properties of N-[[2-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[[2-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 301.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,5-dimethylpyrazol-3-yl)amino]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 90678236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).