N'-(2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine

C13H19N5 — CID 82270688

IUPACN'-(2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1nc2cc(C3CC3)nn2c(NCCN)c1C
InChIInChI=1S/C13H19N5/c1-8-9(2)16-12-7-11(10-3-4-10)17-18(12)13(8)15-6-5-14/h7,10,15H,3-6,14H2,1-2H3
InChIKeyCRHZNXRDKXRKRG-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.59
Rot. Bonds4

About N'-(2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine

N'-(2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (PubChem CID 82270688) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N'-(2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
PubChem CID82270688
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN'-(2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1nc2cc(C3CC3)nn2c(NCCN)c1C
InChIInChI=1S/C13H19N5/c1-8-9(2)16-12-7-11(10-3-4-10)17-18(12)13(8)15-6-5-14/h7,10,15H,3-6,14H2,1-2H3
InChIKeyCRHZNXRDKXRKRG-UHFFFAOYSA-N
XLogP1.59
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (CID 82270688) is N'-(2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is Cc1nc2cc(C3CC3)nn2c(NCCN)c1C.
What is the InChIKey of N'-(2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The InChIKey is CRHZNXRDKXRKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-8-9(2)16-12-7-11(10-3-4-10)17-18(12)13(8)15-6-5-14/h7,10,15H,3-6,14H2,1-2H3.
What are the key properties of N'-(2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
N'-(2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine has a molecular weight of 245.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is sourced from PubChem (CID 82270688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).