4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine

C16H19N5 — CID 141494791

IUPAC4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESC[C@@H]1CCCC[C@H]1n1cc(-c2nccn3nccc23)cn1
InChIInChI=1S/C16H19N5/c1-12-4-2-3-5-14(12)21-11-13(10-19-21)16-15-6-7-18-20(15)9-8-17-16/h6-12,14H,2-5H2,1H3/t12-,14-/m1/s1
InChIKeyFUDOQLMASROFBL-TZMCWYRMSA-N
MW281.36 g/mol
LogP3.34
Rot. Bonds2

About 4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine

4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 141494791) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
PubChem CID141494791
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESC[C@@H]1CCCC[C@H]1n1cc(-c2nccn3nccc23)cn1
InChIInChI=1S/C16H19N5/c1-12-4-2-3-5-14(12)21-11-13(10-19-21)16-15-6-7-18-20(15)9-8-17-16/h6-12,14H,2-5H2,1H3/t12-,14-/m1/s1
InChIKeyFUDOQLMASROFBL-TZMCWYRMSA-N
XLogP3.34
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (CID 141494791) is 4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is C[C@@H]1CCCC[C@H]1n1cc(-c2nccn3nccc23)cn1.
What is the InChIKey of 4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is FUDOQLMASROFBL-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H19N5/c1-12-4-2-3-5-14(12)21-11-13(10-19-21)16-15-6-7-18-20(15)9-8-17-16/h6-12,14H,2-5H2,1H3/t12-,14-/m1/s1.
What are the key properties of 4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 281.36 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1R,2R)-2-methylcyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 141494791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).