4-[1-(2-methylcycloheptyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

C21H25N7 — CID 121378286

IUPAC4-[1-(2-methylcycloheptyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCC1CCCCCC1n1cc(-c2nc(-c3cnn(C)c3)cn3nccc23)cn1
InChIInChI=1S/C21H25N7/c1-15-6-4-3-5-7-19(15)27-13-17(11-24-27)21-20-8-9-22-28(20)14-18(25-21)16-10-23-26(2)12-16/h8-15,19H,3-7H2,1-2H3
InChIKeyCIJCUJJBEHAVNW-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.13
Rot. Bonds3

About 4-[1-(2-methylcycloheptyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

4-[1-(2-methylcycloheptyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 121378286) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[1-(2-methylcycloheptyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[1-(2-methylcycloheptyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID121378286
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name4-[1-(2-methylcycloheptyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCC1CCCCCC1n1cc(-c2nc(-c3cnn(C)c3)cn3nccc23)cn1
InChIInChI=1S/C21H25N7/c1-15-6-4-3-5-7-19(15)27-13-17(11-24-27)21-20-8-9-22-28(20)14-18(25-21)16-10-23-26(2)12-16/h8-15,19H,3-7H2,1-2H3
InChIKeyCIJCUJJBEHAVNW-UHFFFAOYSA-N
XLogP4.13
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylcycloheptyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[1-(2-methylcycloheptyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 121378286) is 4-[1-(2-methylcycloheptyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[1-(2-methylcycloheptyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[1-(2-methylcycloheptyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is CC1CCCCCC1n1cc(-c2nc(-c3cnn(C)c3)cn3nccc23)cn1.
What is the InChIKey of 4-[1-(2-methylcycloheptyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is CIJCUJJBEHAVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-15-6-4-3-5-7-19(15)27-13-17(11-24-27)21-20-8-9-22-28(20)14-18(25-21)16-10-23-26(2)12-16/h8-15,19H,3-7H2,1-2H3.
What are the key properties of 4-[1-(2-methylcycloheptyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
4-[1-(2-methylcycloheptyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 375.48 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylcycloheptyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121378286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).