N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methylthiophene-2-carboxamide

C20H17FN4O2S — CID 91892644

IUPACN-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)s1
InChIInChI=1S/C20H17FN4O2S/c1-13-2-7-18(28-13)19(26)22-8-9-24-10-11-25-17(20(24)27)12-16(23-25)14-3-5-15(21)6-4-14/h2-7,10-12H,8-9H2,1H3,(H,22,26)
InChIKeyCNLWLTXDRZQSSU-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.10
Rot. Bonds5

About N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methylthiophene-2-carboxamide

N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 91892644) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methylthiophene-2-carboxamide
PubChem CID91892644
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC NameN-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)s1
InChIInChI=1S/C20H17FN4O2S/c1-13-2-7-18(28-13)19(26)22-8-9-24-10-11-25-17(20(24)27)12-16(23-25)14-3-5-15(21)6-4-14/h2-7,10-12H,8-9H2,1H3,(H,22,26)
InChIKeyCNLWLTXDRZQSSU-UHFFFAOYSA-N
XLogP3.10
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazole scaffold, 7d
CID 24893962
Pyrazole scaffold, 7b
CID 25218474
Pyrazole scaffold, 7c
CID 25218475
(S)-1-(5-((2-aminopropanamido)methyl)thiophen-2-yl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25218479
Ab-chfupyca
CID 122213879
CB2 Inhibitor, 2
CID 16376054
Pyrazole scaffold, 10b
CID 25218478
Pyrazole scaffold, 10d
CID 25218480
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191222
5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
N-(4-{N-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-5-methyl-2-thiophenecarboxamide
CID 23097164
5-(1-(2-(benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10246779

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methylthiophene-2-carboxamide (CID 91892644) is N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)s1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is CNLWLTXDRZQSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c1-13-2-7-18(28-13)19(26)22-8-9-24-10-11-25-17(20(24)27)12-16(23-25)14-3-5-15(21)6-4-14/h2-7,10-12H,8-9H2,1H3,(H,22,26).
What are the key properties of N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methylthiophene-2-carboxamide?
N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 91892644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).