N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-fluorophenyl)acetamide

C21H27FN4O — CID 72901891

IUPACN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NCc1cc2n(n1)CCN(C1CCCCC1)C2
InChIInChI=1S/C21H27FN4O/c22-20-9-5-4-6-16(20)12-21(27)23-14-17-13-19-15-25(10-11-26(19)24-17)18-7-2-1-3-8-18/h4-6,9,13,18H,1-3,7-8,10-12,14-15H2,(H,23,27)
InChIKeyNDUIIMIPXRXOPA-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.03
Rot. Bonds5

About N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-fluorophenyl)acetamide

N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-fluorophenyl)acetamide (PubChem CID 72901891) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-fluorophenyl)acetamide
PubChem CID72901891
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC NameN-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NCc1cc2n(n1)CCN(C1CCCCC1)C2
InChIInChI=1S/C21H27FN4O/c22-20-9-5-4-6-16(20)12-21(27)23-14-17-13-19-15-25(10-11-26(19)24-17)18-7-2-1-3-8-18/h4-6,9,13,18H,1-3,7-8,10-12,14-15H2,(H,23,27)
InChIKeyNDUIIMIPXRXOPA-UHFFFAOYSA-N
XLogP3.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-fluorophenyl)acetamide (CID 72901891) is N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)NCc1cc2n(n1)CCN(C1CCCCC1)C2.
What is the InChIKey of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is NDUIIMIPXRXOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c22-20-9-5-4-6-16(20)12-21(27)23-14-17-13-19-15-25(10-11-26(19)24-17)18-7-2-1-3-8-18/h4-6,9,13,18H,1-3,7-8,10-12,14-15H2,(H,23,27).
What are the key properties of N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-fluorophenyl)acetamide?
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 370.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 72901891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).