N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine

C17H30N4 — CID 64779957

IUPACN'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESNCCN(Cc1ccn(C2CCCC2)n1)C1CCCCC1
InChIInChI=1S/C17H30N4/c18-11-13-20(16-6-2-1-3-7-16)14-15-10-12-21(19-15)17-8-4-5-9-17/h10,12,16-17H,1-9,11,13-14,18H2
InChIKeyWILWSHNZSYEKSB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.09
Rot. Bonds6

About N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine

N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 64779957) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID64779957
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC NameN'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine
SMILESNCCN(Cc1ccn(C2CCCC2)n1)C1CCCCC1
InChIInChI=1S/C17H30N4/c18-11-13-20(16-6-2-1-3-7-16)14-15-10-12-21(19-15)17-8-4-5-9-17/h10,12,16-17H,1-9,11,13-14,18H2
InChIKeyWILWSHNZSYEKSB-UHFFFAOYSA-N
XLogP3.09
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopentanamine
CID 80673348
N'-cyclopentyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866285
N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 64800221
2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid
CID 64784800
N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine
CID 64800217
N'-cyclopropyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866808
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpyrrolidin-3-amine
CID 64784435
2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine
CID 64801183
1-cyclohexyl-3-ethylpyrazole
CID 66014335
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
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine (CID 64779957) is N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine is NCCN(Cc1ccn(C2CCCC2)n1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is WILWSHNZSYEKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c18-11-13-20(16-6-2-1-3-7-16)14-15-10-12-21(19-15)17-8-4-5-9-17/h10,12,16-17H,1-9,11,13-14,18H2.
What are the key properties of N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine?
N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 64779957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).