N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide

C17H16FN5O — CID 166287093

IUPACN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1cc2n(n1)CCC2
InChIInChI=1S/C17H16FN5O/c18-12-3-5-14(6-4-12)23-9-7-13(20-23)10-17(24)19-16-11-15-2-1-8-22(15)21-16/h3-7,9,11H,1-2,8,10H2,(H,19,21,24)
InChIKeyAYNACXHDPIMSAZ-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.34
Rot. Bonds4

About N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide

N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide (PubChem CID 166287093) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
PubChem CID166287093
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC NameN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
SMILESO=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1cc2n(n1)CCC2
InChIInChI=1S/C17H16FN5O/c18-12-3-5-14(6-4-12)23-9-7-13(20-23)10-17(24)19-16-11-15-2-1-8-22(15)21-16/h3-7,9,11H,1-2,8,10H2,(H,19,21,24)
InChIKeyAYNACXHDPIMSAZ-UHFFFAOYSA-N
XLogP2.34
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-3-yl)acetamide
CID 71998650
N-(2-ethyl-2-hydroxybutyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 111483266
N-(2-ethylpyrimidin-5-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166231051
N-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166322622
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
CID 71873510
N-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 155947299
N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 71870126
cis-(1R,3S)-3-[[2-[1-(4-fluorophenyl)pyrazol-3-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 167806359
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide
CID 166249171
2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 177025869
2-[1-(4-fluorophenyl)pyrazol-3-yl]-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 71991457
N-[(4,4-difluoro-2-methylpyrrolidin-2-yl)methyl]-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166286555

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide (CID 166287093) is N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide is O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1cc2n(n1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The InChIKey is AYNACXHDPIMSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-12-3-5-14(6-4-12)23-9-7-13(20-23)10-17(24)19-16-11-15-2-1-8-22(15)21-16/h3-7,9,11H,1-2,8,10H2,(H,19,21,24).
What are the key properties of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide has a molecular weight of 325.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 166287093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).