(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine

C13H15ClN6 — CID 103128207

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
SMILESCC(C)n1ncc(Cl)c1C(N)c1cnn2ccncc12
InChIInChI=1S/C13H15ClN6/c1-8(2)20-13(10(14)6-18-20)12(15)9-5-17-19-4-3-16-7-11(9)19/h3-8,12H,15H2,1-2H3
InChIKeySDEWMPYFHSSTJN-UHFFFAOYSA-N
MW290.76 g/mol
LogP2.21
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine

(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine (PubChem CID 103128207) has the molecular formula C13H15ClN6 and a molecular weight of 290.76 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
PubChem CID103128207
Molecular FormulaC13H15ClN6
Molecular Weight290.76 g/mol
Exact Mass290.10
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
SMILESCC(C)n1ncc(Cl)c1C(N)c1cnn2ccncc12
InChIInChI=1S/C13H15ClN6/c1-8(2)20-13(10(14)6-18-20)12(15)9-5-17-19-4-3-16-7-11(9)19/h3-8,12H,15H2,1-2H3
InChIKeySDEWMPYFHSSTJN-UHFFFAOYSA-N
XLogP2.21
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.76
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine (CID 103128207) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine is CC(C)n1ncc(Cl)c1C(N)c1cnn2ccncc12.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
The InChIKey is SDEWMPYFHSSTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6/c1-8(2)20-13(10(14)6-18-20)12(15)9-5-17-19-4-3-16-7-11(9)19/h3-8,12H,15H2,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine has a molecular weight of 290.76 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanamine is sourced from PubChem (CID 103128207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).