N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine

C15H28N4 — CID 64800217

IUPACN'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H28N4/c1-2-18(11-6-10-16)13-14-9-12-19(17-14)15-7-4-3-5-8-15/h9,12,15H,2-8,10-11,13,16H2,1H3
InChIKeyPFQAANTZVNHTQU-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.56
Rot. Bonds7

About N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine

N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine (PubChem CID 64800217) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine
PubChem CID64800217
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H28N4/c1-2-18(11-6-10-16)13-14-9-12-19(17-14)15-7-4-3-5-8-15/h9,12,15H,2-8,10-11,13,16H2,1H3
InChIKeyPFQAANTZVNHTQU-UHFFFAOYSA-N
XLogP2.56
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine
CID 64801182
N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64779957
N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 64800221
N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865963
1-cyclohexyl-3-ethylpyrazole
CID 66014335
5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine
CID 107204922
2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine
CID 64801183
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632392
2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid
CID 64783644
3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-1-amine
CID 66218804
2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid
CID 107440267
N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 64800022

Frequently Asked Questions

What is the IUPAC name of N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine?
The IUPAC name of N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine (CID 64800217) is N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine?
The canonical SMILES for N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine is CCN(CCCN)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine?
The InChIKey is PFQAANTZVNHTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-2-18(11-6-10-16)13-14-9-12-19(17-14)15-7-4-3-5-8-15/h9,12,15H,2-8,10-11,13,16H2,1H3.
What are the key properties of N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine?
N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine is sourced from PubChem (CID 64800217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).