1-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propan-2-ylurea

C17H20F2N4O — CID 72838069

IUPAC1-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C17H20F2N4O/c1-10(2)21-17(24)22-14-4-3-5-15-12(14)9-20-23(15)16-7-6-11(18)8-13(16)19/h6-10,14H,3-5H2,1-2H3,(H2,21,22,24)
InChIKeyDPKQHVFCJDLWJI-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.24
Rot. Bonds3

About 1-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propan-2-ylurea

1-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propan-2-ylurea (PubChem CID 72838069) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propan-2-ylurea
PubChem CID72838069
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name1-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C17H20F2N4O/c1-10(2)21-17(24)22-14-4-3-5-15-12(14)9-20-23(15)16-7-6-11(18)8-13(16)19/h6-10,14H,3-5H2,1-2H3,(H2,21,22,24)
InChIKeyDPKQHVFCJDLWJI-UHFFFAOYSA-N
XLogP3.24
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propan-2-ylurea (CID 72838069) is 1-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propan-2-ylurea is CC(C)NC(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propan-2-ylurea?
The InChIKey is DPKQHVFCJDLWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-10(2)21-17(24)22-14-4-3-5-15-12(14)9-20-23(15)16-7-6-11(18)8-13(16)19/h6-10,14H,3-5H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propan-2-ylurea?
1-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propan-2-ylurea has a molecular weight of 334.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-propan-2-ylurea is sourced from PubChem (CID 72838069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).