N-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine

C12H22N4 — CID 79584820

IUPACN-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine
SMILESCc1c(C(CN)NCCC2CC2)cnn1C
InChIInChI=1S/C12H22N4/c1-9-11(8-15-16(9)2)12(7-13)14-6-5-10-3-4-10/h8,10,12,14H,3-7,13H2,1-2H3
InChIKeySGGCKGLDCIQTHH-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.12
Rot. Bonds6

About N-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine

N-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 79584820) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID79584820
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine
SMILESCc1c(C(CN)NCCC2CC2)cnn1C
InChIInChI=1S/C12H22N4/c1-9-11(8-15-16(9)2)12(7-13)14-6-5-10-3-4-10/h8,10,12,14H,3-7,13H2,1-2H3
InChIKeySGGCKGLDCIQTHH-UHFFFAOYSA-N
XLogP1.12
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine (CID 79584820) is N-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine is Cc1c(C(CN)NCCC2CC2)cnn1C.
What is the InChIKey of N-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is SGGCKGLDCIQTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9-11(8-15-16(9)2)12(7-13)14-6-5-10-3-4-10/h8,10,12,14H,3-7,13H2,1-2H3.
What are the key properties of N-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine?
N-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 79584820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).