3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide

C19H18FN3O3 — CID 56932013

IUPAC3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C1=NN(C(N)=O)C(c3ccc(F)cc3)C1C2
InChIInChI=1S/C19H18FN3O3/c1-25-15-8-11-7-14-17(13(11)9-16(15)26-2)22-23(19(21)24)18(14)10-3-5-12(20)6-4-10/h3-6,8-9,14,18H,7H2,1-2H3,(H2,21,24)
InChIKeyNSAVQSFUFNJFAX-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.85
Rot. Bonds3

About 3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide

3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (PubChem CID 56932013) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
PubChem CID56932013
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C1=NN(C(N)=O)C(c3ccc(F)cc3)C1C2
InChIInChI=1S/C19H18FN3O3/c1-25-15-8-11-7-14-17(13(11)9-16(15)26-2)22-23(19(21)24)18(14)10-3-5-12(20)6-4-10/h3-6,8-9,14,18H,7H2,1-2H3,(H2,21,24)
InChIKeyNSAVQSFUFNJFAX-UHFFFAOYSA-N
XLogP2.85
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-bis(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno(1,2-c)pyrazole-2-carboxamide
CID 53364309
1-(3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2915695
(3R,3aR)-8-methoxy-3-(4-methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboxamide
CID 16204328
3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno(1,2-c)pyrazole-2-carbothioamide
CID 53388637
N-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56661807
3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carbothioamide
CID 56661811
N-(4-fluorophenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56666595
N-(2,6-dimethylphenyl)-3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56675564
N-(4-fluorophenyl)-6,7-dimethoxy-3-phenyl-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56680161
3-(2-chlorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56932012
1-[(3R,3aR)-3-(4-fluorophenyl)-7,8-dimethoxy-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanone
CID 16203105
N-(2,6-dimethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
CID 56665250

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (CID 56932013) is 3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is COc1cc2c(cc1OC)C1=NN(C(N)=O)C(c3ccc(F)cc3)C1C2.
What is the InChIKey of 3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The InChIKey is NSAVQSFUFNJFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-25-15-8-11-7-14-17(13(11)9-16(15)26-2)22-23(19(21)24)18(14)10-3-5-12(20)6-4-10/h3-6,8-9,14,18H,7H2,1-2H3,(H2,21,24).
What are the key properties of 3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6,7-dimethoxy-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is sourced from PubChem (CID 56932013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).