1-cyclopropyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[(4-fluorophenyl)methyl]urea

C17H20FN5O — CID 51084103

IUPAC1-cyclopropyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1nnc2n1CCC2)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H20FN5O/c18-13-5-3-12(4-6-13)11-23(14-7-8-14)17(24)19-10-16-21-20-15-2-1-9-22(15)16/h3-6,14H,1-2,7-11H2,(H,19,24)
InChIKeyJPNFDJGZTJXHSC-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.24
Rot. Bonds5

About 1-cyclopropyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[(4-fluorophenyl)methyl]urea

1-cyclopropyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[(4-fluorophenyl)methyl]urea (PubChem CID 51084103) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[(4-fluorophenyl)methyl]urea
PubChem CID51084103
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name1-cyclopropyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1nnc2n1CCC2)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C17H20FN5O/c18-13-5-3-12(4-6-13)11-23(14-7-8-14)17(24)19-10-16-21-20-15-2-1-9-22(15)16/h3-6,14H,1-2,7-11H2,(H,19,24)
InChIKeyJPNFDJGZTJXHSC-UHFFFAOYSA-N
XLogP2.24
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[(4-fluorophenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11071721, Example 54
CID 134563827
US11071721, Example 79
CID 134563834
US11071721, Example 24
CID 134563843
US11071721, Example 84
CID 134563858
US11071721, Example 104
CID 134563866
US11071721, Example 22
CID 134563871
US11071721, Example 20
CID 134563872
US11071721, Example 70
CID 134563880
US11071721, Example 105
CID 134563884
US11071721, Example 52
CID 134563888
US11071721, Example 73
CID 134563891
US11071721, Example 11
CID 134563901

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[(4-fluorophenyl)methyl]urea (CID 51084103) is 1-cyclopropyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[(4-fluorophenyl)methyl]urea is O=C(NCc1nnc2n1CCC2)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[(4-fluorophenyl)methyl]urea?
The InChIKey is JPNFDJGZTJXHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c18-13-5-3-12(4-6-13)11-23(14-7-8-14)17(24)19-10-16-21-20-15-2-1-9-22(15)16/h3-6,14H,1-2,7-11H2,(H,19,24).
What are the key properties of 1-cyclopropyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[(4-fluorophenyl)methyl]urea?
1-cyclopropyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[(4-fluorophenyl)methyl]urea has a molecular weight of 329.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 51084103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).