N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine

C14H26N4 — CID 64800221

IUPACN'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H26N4/c1-12(2)17(10-8-15)11-13-7-9-18(16-13)14-5-3-4-6-14/h7,9,12,14H,3-6,8,10-11,15H2,1-2H3
InChIKeyMYYDPVXCVOLZNL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds6

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

N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 64800221) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID64800221
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C14H26N4/c1-12(2)17(10-8-15)11-13-7-9-18(16-13)14-5-3-4-6-14/h7,9,12,14H,3-6,8,10-11,15H2,1-2H3
InChIKeyMYYDPVXCVOLZNL-UHFFFAOYSA-N
XLogP2.17
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-cyclopentylpyrazol-3-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 77053135
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614482
N'-cyclohexyl-N'-[(1-cyclopentylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64779957
N'-[(1-cyclohexylpyrazol-3-yl)methyl]-N'-ethylpropane-1,3-diamine
CID 64800217
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-ethyl-2-methylpropane-1,3-diamine
CID 64801182
4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol
CID 113259203
3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]butan-1-amine
CID 81195056
2-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-2-N-propylbutane-1,2-diamine
CID 64801183
1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine
CID 81190022
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485

Frequently Asked Questions

What is the IUPAC name of N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine (CID 64800221) is N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine is CC(C)N(CCN)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is MYYDPVXCVOLZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(2)17(10-8-15)11-13-7-9-18(16-13)14-5-3-4-6-14/h7,9,12,14H,3-6,8,10-11,15H2,1-2H3.
What are the key properties of N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine?
N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 64800221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).