4-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C19H25N3 — CID 59474042

IUPAC4-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESc1ccc(-c2cc3n(n2)CCNC3CC2CCCCC2)cc1
InChIInChI=1S/C19H25N3/c1-3-7-15(8-4-1)13-18-19-14-17(16-9-5-2-6-10-16)21-22(19)12-11-20-18/h2,5-6,9-10,14-15,18,20H,1,3-4,7-8,11-13H2
InChIKeyYSMSEJDCJWUGIQ-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.16
Rot. Bonds3

About 4-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

4-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 59474042) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID59474042
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name4-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESc1ccc(-c2cc3n(n2)CCNC3CC2CCCCC2)cc1
InChIInChI=1S/C19H25N3/c1-3-7-15(8-4-1)13-18-19-14-17(16-9-5-2-6-10-16)21-22(19)12-11-20-18/h2,5-6,9-10,14-15,18,20H,1,3-4,7-8,11-13H2
InChIKeyYSMSEJDCJWUGIQ-UHFFFAOYSA-N
XLogP4.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 59474042) is 4-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is c1ccc(-c2cc3n(n2)CCNC3CC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is YSMSEJDCJWUGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-3-7-15(8-4-1)13-18-19-14-17(16-9-5-2-6-10-16)21-22(19)12-11-20-18/h2,5-6,9-10,14-15,18,20H,1,3-4,7-8,11-13H2.
What are the key properties of 4-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
4-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 295.43 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 59474042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).