N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

C21H18N4O3 — CID 91817235

IUPACN-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2ccnc(-c3ccco3)c2)[nH]n1
InChIInChI=1S/C21H18N4O3/c1-27-19-6-3-2-5-15(19)16-12-18(25-24-16)21(26)23-13-14-8-9-22-17(11-14)20-7-4-10-28-20/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyTUWAZHYGQJRERL-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.67
Rot. Bonds6

About N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 91817235) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID91817235
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2ccnc(-c3ccco3)c2)[nH]n1
InChIInChI=1S/C21H18N4O3/c1-27-19-6-3-2-5-15(19)16-12-18(25-24-16)21(26)23-13-14-8-9-22-17(11-14)20-7-4-10-28-20/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyTUWAZHYGQJRERL-UHFFFAOYSA-N
XLogP3.67
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165473
3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 126851451
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-2-methoxypyridine-3-carboxamide
CID 91630468
3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 46920479
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 122162980
3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide
CID 90490047
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 91630425
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]quinoxaline-2-carboxamide
CID 91630434
3-(2-chlorophenyl)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 91630452
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42879371
3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 156565673

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 91817235) is N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)NCc2ccnc(-c3ccco3)c2)[nH]n1.
What is the InChIKey of N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is TUWAZHYGQJRERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-19-6-3-2-5-15(19)16-12-18(25-24-16)21(26)23-13-14-8-9-22-17(11-14)20-7-4-10-28-20/h2-12H,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91817235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).