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

C16H18ClFN4O — CID 70780178

IUPACN-[[5-[(4-chloro-2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2n(n1)CCN(Cc1ccc(Cl)cc1F)C2
InChIInChI=1S/C16H18ClFN4O/c1-11(23)19-8-14-7-15-10-21(4-5-22(15)20-14)9-12-2-3-13(17)6-16(12)18/h2-3,6-7H,4-5,8-10H2,1H3,(H,19,23)
InChIKeySJBFAVCKWRYEGG-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.33
Rot. Bonds4

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

N-[[5-[(4-chloro-2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (PubChem CID 70780178) has the molecular formula C16H18ClFN4O and a molecular weight of 336.80 g/mol. Its IUPAC name is N-[[5-[(4-chloro-2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[(4-chloro-2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
PubChem CID70780178
Molecular FormulaC16H18ClFN4O
Molecular Weight336.80 g/mol
Exact Mass336.12
IUPAC NameN-[[5-[(4-chloro-2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cc2n(n1)CCN(Cc1ccc(Cl)cc1F)C2
InChIInChI=1S/C16H18ClFN4O/c1-11(23)19-8-14-7-15-10-21(4-5-22(15)20-14)9-12-2-3-13(17)6-16(12)18/h2-3,6-7H,4-5,8-10H2,1H3,(H,19,23)
InChIKeySJBFAVCKWRYEGG-UHFFFAOYSA-N
XLogP2.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-chloro-2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[(4-chloro-2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide (CID 70780178) is N-[[5-[(4-chloro-2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[(4-chloro-2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[(4-chloro-2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1cc2n(n1)CCN(Cc1ccc(Cl)cc1F)C2.
What is the InChIKey of N-[[5-[(4-chloro-2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
The InChIKey is SJBFAVCKWRYEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4O/c1-11(23)19-8-14-7-15-10-21(4-5-22(15)20-14)9-12-2-3-13(17)6-16(12)18/h2-3,6-7H,4-5,8-10H2,1H3,(H,19,23).
What are the key properties of N-[[5-[(4-chloro-2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide?
N-[[5-[(4-chloro-2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide has a molecular weight of 336.80 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-chloro-2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 70780178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).