1-[1-(furan-2-yl)-3-hydroxypropyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea

C17H19N5O3 — CID 126782814

IUPAC1-[1-(furan-2-yl)-3-hydroxypropyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea
SMILESCc1ccnc(-n2nccc2NC(=O)NC(CCO)c2ccco2)c1
InChIInChI=1S/C17H19N5O3/c1-12-4-7-18-16(11-12)22-15(5-8-19-22)21-17(24)20-13(6-9-23)14-3-2-10-25-14/h2-5,7-8,10-11,13,23H,6,9H2,1H3,(H2,20,21,24)
InChIKeyVXJNFKGXVCMCIV-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.41
Rot. Bonds6

About 1-[1-(furan-2-yl)-3-hydroxypropyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea

1-[1-(furan-2-yl)-3-hydroxypropyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea (PubChem CID 126782814) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)-3-hydroxypropyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[1-(furan-2-yl)-3-hydroxypropyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea
PubChem CID126782814
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name1-[1-(furan-2-yl)-3-hydroxypropyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea
SMILESCc1ccnc(-n2nccc2NC(=O)NC(CCO)c2ccco2)c1
InChIInChI=1S/C17H19N5O3/c1-12-4-7-18-16(11-12)22-15(5-8-19-22)21-17(24)20-13(6-9-23)14-3-2-10-25-14/h2-5,7-8,10-11,13,23H,6,9H2,1H3,(H2,20,21,24)
InChIKeyVXJNFKGXVCMCIV-UHFFFAOYSA-N
XLogP2.41
TPSA105.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)-3-hydroxypropyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[1-(furan-2-yl)-3-hydroxypropyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea (CID 126782814) is 1-[1-(furan-2-yl)-3-hydroxypropyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[1-(furan-2-yl)-3-hydroxypropyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[1-(furan-2-yl)-3-hydroxypropyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea is Cc1ccnc(-n2nccc2NC(=O)NC(CCO)c2ccco2)c1.
What is the InChIKey of 1-[1-(furan-2-yl)-3-hydroxypropyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea?
The InChIKey is VXJNFKGXVCMCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-12-4-7-18-16(11-12)22-15(5-8-19-22)21-17(24)20-13(6-9-23)14-3-2-10-25-14/h2-5,7-8,10-11,13,23H,6,9H2,1H3,(H2,20,21,24).
What are the key properties of 1-[1-(furan-2-yl)-3-hydroxypropyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea?
1-[1-(furan-2-yl)-3-hydroxypropyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea has a molecular weight of 341.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)-3-hydroxypropyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea is sourced from PubChem (CID 126782814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).