4-(1-cycloheptylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

C20H23N7 — CID 121378391

IUPAC4-(1-cycloheptylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCn1cc(-c2cn3nccc3c(-c3cnn(C4CCCCCC4)c3)n2)cn1
InChIInChI=1S/C20H23N7/c1-25-12-15(10-22-25)18-14-27-19(8-9-21-27)20(24-18)16-11-23-26(13-16)17-6-4-2-3-5-7-17/h8-14,17H,2-7H2,1H3
InChIKeyOUPNAKMUTDMSBJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.89
Rot. Bonds3

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

4-(1-cycloheptylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 121378391) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(1-cycloheptylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(1-cycloheptylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID121378391
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name4-(1-cycloheptylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCn1cc(-c2cn3nccc3c(-c3cnn(C4CCCCCC4)c3)n2)cn1
InChIInChI=1S/C20H23N7/c1-25-12-15(10-22-25)18-14-27-19(8-9-21-27)20(24-18)16-11-23-26(13-16)17-6-4-2-3-5-7-17/h8-14,17H,2-7H2,1H3
InChIKeyOUPNAKMUTDMSBJ-UHFFFAOYSA-N
XLogP3.89
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cycloheptylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(1-cycloheptylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 121378391) is 4-(1-cycloheptylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(1-cycloheptylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(1-cycloheptylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is Cn1cc(-c2cn3nccc3c(-c3cnn(C4CCCCCC4)c3)n2)cn1.
What is the InChIKey of 4-(1-cycloheptylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is OUPNAKMUTDMSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-25-12-15(10-22-25)18-14-27-19(8-9-21-27)20(24-18)16-11-23-26(13-16)17-6-4-2-3-5-7-17/h8-14,17H,2-7H2,1H3.
What are the key properties of 4-(1-cycloheptylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
4-(1-cycloheptylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 361.45 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cycloheptylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121378391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).