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

C19H21N7 — CID 121378458

IUPAC4-[1-(1-methylcyclopentyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCn1cc(-c2cn3nccc3c(-c3cnn(C4(C)CCCC4)c3)n2)cn1
InChIInChI=1S/C19H21N7/c1-19(6-3-4-7-19)26-12-15(10-22-26)18-17-5-8-20-25(17)13-16(23-18)14-9-21-24(2)11-14/h5,8-13H,3-4,6-7H2,1-2H3
InChIKeyKRTPHJWJOAAJKP-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.28
Rot. Bonds3

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

4-[1-(1-methylcyclopentyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 121378458) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 4-[1-(1-methylcyclopentyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[1-(1-methylcyclopentyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID121378458
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name4-[1-(1-methylcyclopentyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCn1cc(-c2cn3nccc3c(-c3cnn(C4(C)CCCC4)c3)n2)cn1
InChIInChI=1S/C19H21N7/c1-19(6-3-4-7-19)26-12-15(10-22-26)18-17-5-8-20-25(17)13-16(23-18)14-9-21-24(2)11-14/h5,8-13H,3-4,6-7H2,1-2H3
InChIKeyKRTPHJWJOAAJKP-UHFFFAOYSA-N
XLogP3.28
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CID 130339268
CID 130339268
CID 155804555
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CID 71253921
CID 71253921
CID 71512722
CID 71512722
CID 76286753
CID 76286753
CID 130339265
CID 130339265
CID 130339270
CID 130339270
CID 130339280
CID 130339280
CID 130380621
CID 130380621
CID 946227
CID 946227
CID 71254249
CID 71254249
CID 73504998
CID 73504998

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-methylcyclopentyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[1-(1-methylcyclopentyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 121378458) is 4-[1-(1-methylcyclopentyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[1-(1-methylcyclopentyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[1-(1-methylcyclopentyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is Cn1cc(-c2cn3nccc3c(-c3cnn(C4(C)CCCC4)c3)n2)cn1.
What is the InChIKey of 4-[1-(1-methylcyclopentyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is KRTPHJWJOAAJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-19(6-3-4-7-19)26-12-15(10-22-26)18-17-5-8-20-25(17)13-16(23-18)14-9-21-24(2)11-14/h5,8-13H,3-4,6-7H2,1-2H3.
What are the key properties of 4-[1-(1-methylcyclopentyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
4-[1-(1-methylcyclopentyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 347.43 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-methylcyclopentyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121378458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).