1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

C21H20N6O3 — CID 42433017

IUPAC1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NCCc2ccccn2)cnn1-c1nccc(-c2ccco2)n1
InChIInChI=1S/C21H20N6O3/c1-29-14-18-16(20(28)23-10-7-15-5-2-3-9-22-15)13-25-27(18)21-24-11-8-17(26-21)19-6-4-12-30-19/h2-6,8-9,11-13H,7,10,14H2,1H3,(H,23,28)
InChIKeyNQLOYCHYNLYTBS-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.44
Rot. Bonds8

About 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide

1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 42433017) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
PubChem CID42433017
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
SMILESCOCc1c(C(=O)NCCc2ccccn2)cnn1-c1nccc(-c2ccco2)n1
InChIInChI=1S/C21H20N6O3/c1-29-14-18-16(20(28)23-10-7-15-5-2-3-9-22-15)13-25-27(18)21-24-11-8-17(26-21)19-6-4-12-30-19/h2-6,8-9,11-13H,7,10,14H2,1H3,(H,23,28)
InChIKeyNQLOYCHYNLYTBS-UHFFFAOYSA-N
XLogP2.44
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 25326947
1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 26320964
5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 42472788
N-(furan-2-ylmethyl)-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 26340828
(4-cyclopentylpiperazin-1-yl)-[1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]methanone
CID 42397311
ethyl 3-[[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]propanoate
CID 26337146
5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 42480683
1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 29218647
5-(methoxymethyl)-N-(3-methylsulfanylpropyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 26325196
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 118756483
1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-(methoxymethyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 26397581
1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
CID 26361722

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide (CID 42433017) is 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is COCc1c(C(=O)NCCc2ccccn2)cnn1-c1nccc(-c2ccco2)n1.
What is the InChIKey of 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
The InChIKey is NQLOYCHYNLYTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-29-14-18-16(20(28)23-10-7-15-5-2-3-9-22-15)13-25-27(18)21-24-11-8-17(26-21)19-6-4-12-30-19/h2-6,8-9,11-13H,7,10,14H2,1H3,(H,23,28).
What are the key properties of 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide?
1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42433017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).