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

C20H17N5O3 — CID 122162980

IUPACN-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2nccnc2-c2ccoc2)[nH]n1
InChIInChI=1S/C20H17N5O3/c1-27-18-5-3-2-4-14(18)15-10-16(25-24-15)20(26)23-11-17-19(22-8-7-21-17)13-6-9-28-12-13/h2-10,12H,11H2,1H3,(H,23,26)(H,24,25)
InChIKeyXLXDLYPGNRQKOG-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.07
Rot. Bonds6

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

N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 122162980) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID122162980
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2nccnc2-c2ccoc2)[nH]n1
InChIInChI=1S/C20H17N5O3/c1-27-18-5-3-2-4-14(18)15-10-16(25-24-15)20(26)23-11-17-19(22-8-7-21-17)13-6-9-28-12-13/h2-10,12H,11H2,1H3,(H,23,26)(H,24,25)
InChIKeyXLXDLYPGNRQKOG-UHFFFAOYSA-N
XLogP3.07
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide
CID 90490047
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]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91817235
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-2-naphthalen-1-ylacetamide
CID 122162973
3-(2-methoxyphenyl)-N-[3-(2-methoxyphenyl)prop-2-ynyl]-1H-pyrazole-5-carboxamide
CID 90549359
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-4-propylbenzamide
CID 122162929
N-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46971545
N-[4-(2-fluorophenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90574577
5-fluoro-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]pyridine-3-carboxamide
CID 122163013
2-(4-ethoxyphenyl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide
CID 122162936

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 122162980) is N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)NCc2nccnc2-c2ccoc2)[nH]n1.
What is the InChIKey of N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is XLXDLYPGNRQKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-27-18-5-3-2-4-14(18)15-10-16(25-24-15)20(26)23-11-17-19(22-8-7-21-17)13-6-9-28-12-13/h2-10,12H,11H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 122162980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).