N-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine

C13H24N4 — CID 83088578

IUPACN-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine
SMILESCCCN(C1CC1)C(CN)c1cn(C)nc1C
InChIInChI=1S/C13H24N4/c1-4-7-17(11-5-6-11)13(8-14)12-9-16(3)15-10(12)2/h9,11,13H,4-8,14H2,1-3H3
InChIKeyFESZATOMAVBZOP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.60
Rot. Bonds6

About N-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine

N-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine (PubChem CID 83088578) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine
PubChem CID83088578
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine
SMILESCCCN(C1CC1)C(CN)c1cn(C)nc1C
InChIInChI=1S/C13H24N4/c1-4-7-17(11-5-6-11)13(8-14)12-9-16(3)15-10(12)2/h9,11,13H,4-8,14H2,1-3H3
InChIKeyFESZATOMAVBZOP-UHFFFAOYSA-N
XLogP1.60
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine (CID 83088578) is N-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine is CCCN(C1CC1)C(CN)c1cn(C)nc1C.
What is the InChIKey of N-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine?
The InChIKey is FESZATOMAVBZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-7-17(11-5-6-11)13(8-14)12-9-16(3)15-10(12)2/h9,11,13H,4-8,14H2,1-3H3.
What are the key properties of N-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine?
N-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 83088578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).