1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea

C17H19N5O2 — CID 86800389

IUPAC1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea
SMILESCc1ccc(Cn2nccc2NC(=O)NC(C)c2cccnc2)o1
InChIInChI=1S/C17H19N5O2/c1-12-5-6-15(24-12)11-22-16(7-9-19-22)21-17(23)20-13(2)14-4-3-8-18-10-14/h3-10,13H,11H2,1-2H3,(H2,20,21,23)
InChIKeyLJZWINLVKMWJJU-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.11
Rot. Bonds5

About 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea

1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea (PubChem CID 86800389) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea
PubChem CID86800389
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea
SMILESCc1ccc(Cn2nccc2NC(=O)NC(C)c2cccnc2)o1
InChIInChI=1S/C17H19N5O2/c1-12-5-6-15(24-12)11-22-16(7-9-19-22)21-17(23)20-13(2)14-4-3-8-18-10-14/h3-10,13H,11H2,1-2H3,(H2,20,21,23)
InChIKeyLJZWINLVKMWJJU-UHFFFAOYSA-N
XLogP3.11
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 99703802
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94017430
1-(4-methylphenyl)-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 41430623
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2-ethoxy-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 8903088
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 95130177
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95130176
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
2-methyl-3-(1-pyridin-3-ylethylcarbamoylamino)propanoic acid
CID 62670638
2-(1-pyridin-3-ylethylcarbamoylamino)pentanedioic acid
CID 61197134
(1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81407154
3-(3,3-dimethyl-1-pyridin-3-ylbutyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 122568421

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea?
The IUPAC name of 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea (CID 86800389) is 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea is Cc1ccc(Cn2nccc2NC(=O)NC(C)c2cccnc2)o1.
What is the InChIKey of 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea?
The InChIKey is LJZWINLVKMWJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-5-6-15(24-12)11-22-16(7-9-19-22)21-17(23)20-13(2)14-4-3-8-18-10-14/h3-10,13H,11H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea?
1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea has a molecular weight of 325.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-3-(1-pyridin-3-ylethyl)urea is sourced from PubChem (CID 86800389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).