1-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea

C13H22FN5O — CID 74247520

IUPAC1-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)NC[C@@H]2C[C@H](F)CN2)n(C(C)C)n1
InChIInChI=1S/C13H22FN5O/c1-8(2)19-12(4-9(3)18-19)17-13(20)16-7-11-5-10(14)6-15-11/h4,8,10-11,15H,5-7H2,1-3H3,(H2,16,17,20)/t10-,11-/m0/s1
InChIKeyRJKDOQULCURXAD-QWRGUYRKSA-N
MW283.35 g/mol
LogP1.59
Rot. Bonds4

About 1-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea

1-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea (PubChem CID 74247520) has the molecular formula C13H22FN5O and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea
PubChem CID74247520
Molecular FormulaC13H22FN5O
Molecular Weight283.35 g/mol
Exact Mass283.18
IUPAC Name1-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)NC[C@@H]2C[C@H](F)CN2)n(C(C)C)n1
InChIInChI=1S/C13H22FN5O/c1-8(2)19-12(4-9(3)18-19)17-13(20)16-7-11-5-10(14)6-15-11/h4,8,10-11,15H,5-7H2,1-3H3,(H2,16,17,20)/t10-,11-/m0/s1
InChIKeyRJKDOQULCURXAD-QWRGUYRKSA-N
XLogP1.59
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(5-methyl-2-propan-2-ylpyrazol-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-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea?
The IUPAC name of 1-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea (CID 74247520) is 1-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea?
The canonical SMILES for 1-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea is Cc1cc(NC(=O)NC[C@@H]2C[C@H](F)CN2)n(C(C)C)n1.
What is the InChIKey of 1-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea?
The InChIKey is RJKDOQULCURXAD-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H22FN5O/c1-8(2)19-12(4-9(3)18-19)17-13(20)16-7-11-5-10(14)6-15-11/h4,8,10-11,15H,5-7H2,1-3H3,(H2,16,17,20)/t10-,11-/m0/s1.
What are the key properties of 1-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea?
1-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea has a molecular weight of 283.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3-(5-methyl-2-propan-2-ylpyrazol-3-yl)urea is sourced from PubChem (CID 74247520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).