5-(2,5-dimethoxyphenyl)-1-[(3-fluoro-4-pyridinyl)methyl]pyrazole-3-carboxamide

C18H17FN4O3 — CID 90281661

IUPAC5-(2,5-dimethoxyphenyl)-1-[(3-fluoro-4-pyridinyl)methyl]pyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(N)=O)nn2Cc2ccncc2F)c1
InChIInChI=1S/C18H17FN4O3/c1-25-12-3-4-17(26-2)13(7-12)16-8-15(18(20)24)22-23(16)10-11-5-6-21-9-14(11)19/h3-9H,10H2,1-2H3,(H2,20,24)
InChIKeyMVYQLDLBPZUQQS-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.25
Rot. Bonds6

About 5-(2,5-dimethoxyphenyl)-1-[(3-fluoro-4-pyridinyl)methyl]pyrazole-3-carboxamide

5-(2,5-dimethoxyphenyl)-1-[(3-fluoro-4-pyridinyl)methyl]pyrazole-3-carboxamide (PubChem CID 90281661) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-1-[(3-fluoro-4-pyridinyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-1-[(3-fluoro-4-pyridinyl)methyl]pyrazole-3-carboxamide
PubChem CID90281661
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name5-(2,5-dimethoxyphenyl)-1-[(3-fluoro-4-pyridinyl)methyl]pyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(N)=O)nn2Cc2ccncc2F)c1
InChIInChI=1S/C18H17FN4O3/c1-25-12-3-4-17(26-2)13(7-12)16-8-15(18(20)24)22-23(16)10-11-5-6-21-9-14(11)19/h3-9H,10H2,1-2H3,(H2,20,24)
InChIKeyMVYQLDLBPZUQQS-UHFFFAOYSA-N
XLogP2.25
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,5-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]pyrazole-3-carboxylic acid
CID 90279973
N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271659
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174
5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110674172
5-(2,5-dimethoxyphenyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 90271607
1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 90351323
N-(2,5-dimethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 115645348
5-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]pyrazole-3-carbohydrazide
CID 91871518
2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid
CID 176513629
5-(2,5-dimethoxyphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
CID 110674187
5-(aminomethyl)-1-[(2-fluoro-4-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 103122265
2-[4-(2,5-dimethoxyphenyl)imidazol-1-yl]acetic acid
CID 82302594

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-1-[(3-fluoro-4-pyridinyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-1-[(3-fluoro-4-pyridinyl)methyl]pyrazole-3-carboxamide (CID 90281661) is 5-(2,5-dimethoxyphenyl)-1-[(3-fluoro-4-pyridinyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-1-[(3-fluoro-4-pyridinyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-1-[(3-fluoro-4-pyridinyl)methyl]pyrazole-3-carboxamide is COc1ccc(OC)c(-c2cc(C(N)=O)nn2Cc2ccncc2F)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-1-[(3-fluoro-4-pyridinyl)methyl]pyrazole-3-carboxamide?
The InChIKey is MVYQLDLBPZUQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-25-12-3-4-17(26-2)13(7-12)16-8-15(18(20)24)22-23(16)10-11-5-6-21-9-14(11)19/h3-9H,10H2,1-2H3,(H2,20,24).
What are the key properties of 5-(2,5-dimethoxyphenyl)-1-[(3-fluoro-4-pyridinyl)methyl]pyrazole-3-carboxamide?
5-(2,5-dimethoxyphenyl)-1-[(3-fluoro-4-pyridinyl)methyl]pyrazole-3-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-1-[(3-fluoro-4-pyridinyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 90281661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).