1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea

C16H17N5O3 — CID 99775116

IUPAC1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea
SMILESCOC[C@@H](NC(=O)Nc1cnn(-c2ccccn2)c1)c1ccco1
InChIInChI=1S/C16H17N5O3/c1-23-11-13(14-5-4-8-24-14)20-16(22)19-12-9-18-21(10-12)15-6-2-3-7-17-15/h2-10,13H,11H2,1H3,(H2,19,20,22)/t13-/m1/s1
InChIKeyDGPXLEXCPQYCAC-CYBMUJFWSA-N
MW327.34 g/mol
LogP2.37
Rot. Bonds6

About 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea

1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea (PubChem CID 99775116) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea
PubChem CID99775116
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea
SMILESCOC[C@@H](NC(=O)Nc1cnn(-c2ccccn2)c1)c1ccco1
InChIInChI=1S/C16H17N5O3/c1-23-11-13(14-5-4-8-24-14)20-16(22)19-12-9-18-21(10-12)15-6-2-3-7-17-15/h2-10,13H,11H2,1H3,(H2,19,20,22)/t13-/m1/s1
InChIKeyDGPXLEXCPQYCAC-CYBMUJFWSA-N
XLogP2.37
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea (CID 99775116) is 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea is COC[C@@H](NC(=O)Nc1cnn(-c2ccccn2)c1)c1ccco1.
What is the InChIKey of 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea?
The InChIKey is DGPXLEXCPQYCAC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-23-11-13(14-5-4-8-24-14)20-16(22)19-12-9-18-21(10-12)15-6-2-3-7-17-15/h2-10,13H,11H2,1H3,(H2,19,20,22)/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea?
1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea has a molecular weight of 327.34 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(furan-2-yl)-2-methoxyethyl]-3-(1-pyridin-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 99775116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).