1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]urea

C18H22FN7O — CID 125166010

IUPAC1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]urea
SMILESCC[C@@H](NC(=O)Nc1ccnn1Cc1cccc(F)c1)c1ncnn1CC
InChIInChI=1S/C18H22FN7O/c1-3-15(17-20-12-22-25(17)4-2)23-18(27)24-16-8-9-21-26(16)11-13-6-5-7-14(19)10-13/h5-10,12,15H,3-4,11H2,1-2H3,(H2,23,24,27)/t15-/m1/s1
InChIKeyLWUMKSVSPCKGKN-OAHLLOKOSA-N
MW371.42 g/mol
LogP2.95
Rot. Bonds7

About 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]urea

1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]urea (PubChem CID 125166010) has the molecular formula C18H22FN7O and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]urea
PubChem CID125166010
Molecular FormulaC18H22FN7O
Molecular Weight371.42 g/mol
Exact Mass371.19
IUPAC Name1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]urea
SMILESCC[C@@H](NC(=O)Nc1ccnn1Cc1cccc(F)c1)c1ncnn1CC
InChIInChI=1S/C18H22FN7O/c1-3-15(17-20-12-22-25(17)4-2)23-18(27)24-16-8-9-21-26(16)11-13-6-5-7-14(19)10-13/h5-10,12,15H,3-4,11H2,1-2H3,(H2,23,24,27)/t15-/m1/s1
InChIKeyLWUMKSVSPCKGKN-OAHLLOKOSA-N
XLogP2.95
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]urea?
The IUPAC name of 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]urea (CID 125166010) is 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]urea?
The canonical SMILES for 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]urea is CC[C@@H](NC(=O)Nc1ccnn1Cc1cccc(F)c1)c1ncnn1CC.
What is the InChIKey of 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]urea?
The InChIKey is LWUMKSVSPCKGKN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22FN7O/c1-3-15(17-20-12-22-25(17)4-2)23-18(27)24-16-8-9-21-26(16)11-13-6-5-7-14(19)10-13/h5-10,12,15H,3-4,11H2,1-2H3,(H2,23,24,27)/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]urea?
1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]urea has a molecular weight of 371.42 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-3-[2-[(3-fluorophenyl)methyl]pyrazol-3-yl]urea is sourced from PubChem (CID 125166010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).