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

C17H22FN5O — CID 96537537

IUPAC1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCn1ncnc1CNC(=O)N[C@@H](c1ccccc1F)C1CCCC1
InChIInChI=1S/C17H22FN5O/c1-23-15(20-11-21-23)10-19-17(24)22-16(12-6-2-3-7-12)13-8-4-5-9-14(13)18/h4-5,8-9,11-12,16H,2-3,6-7,10H2,1H3,(H2,19,22,24)/t16-/m1/s1
InChIKeyDWKRETJKSGFADI-MRXNPFEDSA-N
MW331.40 g/mol
LogP2.68
Rot. Bonds5

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

1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 96537537) has the molecular formula C17H22FN5O and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
PubChem CID96537537
Molecular FormulaC17H22FN5O
Molecular Weight331.40 g/mol
Exact Mass331.18
IUPAC Name1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCn1ncnc1CNC(=O)N[C@@H](c1ccccc1F)C1CCCC1
InChIInChI=1S/C17H22FN5O/c1-23-15(20-11-21-23)10-19-17(24)22-16(12-6-2-3-7-12)13-8-4-5-9-14(13)18/h4-5,8-9,11-12,16H,2-3,6-7,10H2,1H3,(H2,19,22,24)/t16-/m1/s1
InChIKeyDWKRETJKSGFADI-MRXNPFEDSA-N
XLogP2.68
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)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

1-[cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 71972649
1-cyclopentyl-1-(2-methoxyphenyl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 84596178
(1R)-1-cyclopentyl-1-(2-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 97055776
1-(1-acetylpiperidin-4-yl)-3-[cyclopentyl-(2-fluorophenyl)methyl]urea
CID 170579179
N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 97053712
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-methoxyacetamide
CID 71972268
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119815713
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 111483103
N-[cyclopentyl-(2-fluorophenyl)methyl]-4-(methylamino)butanamide
CID 119815704
2-(4-aminophenyl)-N-[cyclopentyl-(2-fluorophenyl)methyl]acetamide
CID 119815702
1-[1-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 71990212
N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]-4-methylsulfonylbutanamide
CID 97053702

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
The IUPAC name of 1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea (CID 96537537) is 1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
The canonical SMILES for 1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea is Cn1ncnc1CNC(=O)N[C@@H](c1ccccc1F)C1CCCC1.
What is the InChIKey of 1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
The InChIKey is DWKRETJKSGFADI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-23-15(20-11-21-23)10-19-17(24)22-16(12-6-2-3-7-12)13-8-4-5-9-14(13)18/h4-5,8-9,11-12,16H,2-3,6-7,10H2,1H3,(H2,19,22,24)/t16-/m1/s1.
What are the key properties of 1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 331.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopentyl-(2-fluorophenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 96537537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).