1-[[3-cyclopropyl-1-(3-fluorophenyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea

C20H20FN5O2 — CID 71238339

IUPAC1-[[3-cyclopropyl-1-(3-fluorophenyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea
SMILESO=C(NCc1cc(C2CC2)nn1-c1cccc(F)c1)Nc1ccc(CO)nc1
InChIInChI=1S/C20H20FN5O2/c21-14-2-1-3-17(8-14)26-18(9-19(25-26)13-4-5-13)11-23-20(28)24-15-6-7-16(12-27)22-10-15/h1-3,6-10,13,27H,4-5,11-12H2,(H2,23,24,28)
InChIKeyUGPZILXDTZBGDW-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.10
Rot. Bonds6

About 1-[[3-cyclopropyl-1-(3-fluorophenyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea

1-[[3-cyclopropyl-1-(3-fluorophenyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea (PubChem CID 71238339) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 1-[[3-cyclopropyl-1-(3-fluorophenyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[[3-cyclopropyl-1-(3-fluorophenyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea
PubChem CID71238339
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name1-[[3-cyclopropyl-1-(3-fluorophenyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea
SMILESO=C(NCc1cc(C2CC2)nn1-c1cccc(F)c1)Nc1ccc(CO)nc1
InChIInChI=1S/C20H20FN5O2/c21-14-2-1-3-17(8-14)26-18(9-19(25-26)13-4-5-13)11-23-20(28)24-15-6-7-16(12-27)22-10-15/h1-3,6-10,13,27H,4-5,11-12H2,(H2,23,24,28)
InChIKeyUGPZILXDTZBGDW-UHFFFAOYSA-N
XLogP3.10
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-cyclopropyl-1-(3-fluorophenyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea?
The IUPAC name of 1-[[3-cyclopropyl-1-(3-fluorophenyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea (CID 71238339) is 1-[[3-cyclopropyl-1-(3-fluorophenyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[[3-cyclopropyl-1-(3-fluorophenyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-[[3-cyclopropyl-1-(3-fluorophenyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea is O=C(NCc1cc(C2CC2)nn1-c1cccc(F)c1)Nc1ccc(CO)nc1.
What is the InChIKey of 1-[[3-cyclopropyl-1-(3-fluorophenyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea?
The InChIKey is UGPZILXDTZBGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-14-2-1-3-17(8-14)26-18(9-19(25-26)13-4-5-13)11-23-20(28)24-15-6-7-16(12-27)22-10-15/h1-3,6-10,13,27H,4-5,11-12H2,(H2,23,24,28).
What are the key properties of 1-[[3-cyclopropyl-1-(3-fluorophenyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea?
1-[[3-cyclopropyl-1-(3-fluorophenyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea has a molecular weight of 381.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-cyclopropyl-1-(3-fluorophenyl)pyrazol-5-yl]methyl]-3-[6-(hydroxymethyl)-3-pyridinyl]urea is sourced from PubChem (CID 71238339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).