1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide

C21H19N5O2 — CID 26320964

IUPAC1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2ccccc2)cnn1-c1nccc(-c2ccco2)n1
InChIInChI=1S/C21H19N5O2/c1-15-17(20(27)22-11-9-16-6-3-2-4-7-16)14-24-26(15)21-23-12-10-18(25-21)19-8-5-13-28-19/h2-8,10,12-14H,9,11H2,1H3,(H,22,27)
InChIKeyUAFRBGIPCDBQNL-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.20
Rot. Bonds6

About 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide

1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide (PubChem CID 26320964) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
PubChem CID26320964
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2ccccc2)cnn1-c1nccc(-c2ccco2)n1
InChIInChI=1S/C21H19N5O2/c1-15-17(20(27)22-11-9-16-6-3-2-4-7-16)14-24-26(15)21-23-12-10-18(25-21)19-8-5-13-28-19/h2-8,10,12-14H,9,11H2,1H3,(H,22,27)
InChIKeyUAFRBGIPCDBQNL-UHFFFAOYSA-N
XLogP3.20
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-[(4-phenyloxan-4-yl)methyl]pyrazole-4-carboxamide
CID 42420074
1-[4-(furan-2-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 42433017
5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 25326947
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
5-methyl-N-(3-pyridin-4-ylpropyl)-1-(4-pyridin-3-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 42452521
1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 29218647
N-[2-(diethylamino)ethyl]-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide
CID 26348680
1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 42430014
5-cyclopropyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 45166348
1-[4-(furan-2-yl)pyrimidin-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 118757309
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(furan-2-yl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide
CID 45199858
1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42166080

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide (CID 26320964) is 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCCc2ccccc2)cnn1-c1nccc(-c2ccco2)n1.
What is the InChIKey of 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
The InChIKey is UAFRBGIPCDBQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-15-17(20(27)22-11-9-16-6-3-2-4-7-16)14-24-26(15)21-23-12-10-18(25-21)19-8-5-13-28-19/h2-8,10,12-14H,9,11H2,1H3,(H,22,27).
What are the key properties of 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 26320964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).