[1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]pyrazol-4-yl]methylcarbamic acid

C15H17FN4O2 — CID 146194665

IUPAC[1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]pyrazol-4-yl]methylcarbamic acid
SMILESO=C(O)NCc1cnn([C@H]2CCN(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C15H17FN4O2/c16-12-1-3-13(4-2-12)19-6-5-14(10-19)20-9-11(8-18-20)7-17-15(21)22/h1-4,8-9,14,17H,5-7,10H2,(H,21,22)/t14-/m0/s1
InChIKeyGKGYXEBFPSNJJP-AWEZNQCLSA-N
MW304.33 g/mol
LogP2.24
Rot. Bonds4

About [1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]pyrazol-4-yl]methylcarbamic acid

[1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]pyrazol-4-yl]methylcarbamic acid (PubChem CID 146194665) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is [1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]pyrazol-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]pyrazol-4-yl]methylcarbamic acid
PubChem CID146194665
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name[1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]pyrazol-4-yl]methylcarbamic acid
SMILESO=C(O)NCc1cnn([C@H]2CCN(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C15H17FN4O2/c16-12-1-3-13(4-2-12)19-6-5-14(10-19)20-9-11(8-18-20)7-17-15(21)22/h1-4,8-9,14,17H,5-7,10H2,(H,21,22)/t14-/m0/s1
InChIKeyGKGYXEBFPSNJJP-AWEZNQCLSA-N
XLogP2.24
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]pyrazol-4-yl]methylcarbamic acid 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-[(3R)-1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]pyrazol-4-yl]methylcarbamic acid
CID 146194468
[1-[1-[1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-4-yl]triazol-4-yl]methylurea
CID 45245897
2-[1-[4-(4-fluorophenyl)phenyl]piperidin-4-yl]ethylcarbamic acid
CID 66660711
1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide
CID 47062453
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109187850
(4-thiomorpholin-4-ylphenyl)methylcarbamic acid
CID 66632617
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 60583589
1-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618670
benzyl (3R)-3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrazol-1-yl]pyrrolidine-1-carboxylate
CID 153444626
(1R,2R,3R,4S)-3-[(4-fluorophenyl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 18555782
1-cycloheptyl-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 71886089

Frequently Asked Questions

What is the IUPAC name of [1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]pyrazol-4-yl]methylcarbamic acid?
The IUPAC name of [1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]pyrazol-4-yl]methylcarbamic acid (CID 146194665) is [1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]pyrazol-4-yl]methylcarbamic acid.
What is the SMILES notation for [1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]pyrazol-4-yl]methylcarbamic acid?
The canonical SMILES for [1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]pyrazol-4-yl]methylcarbamic acid is O=C(O)NCc1cnn([C@H]2CCN(c3ccc(F)cc3)C2)c1.
What is the InChIKey of [1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]pyrazol-4-yl]methylcarbamic acid?
The InChIKey is GKGYXEBFPSNJJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17FN4O2/c16-12-1-3-13(4-2-12)19-6-5-14(10-19)20-9-11(8-18-20)7-17-15(21)22/h1-4,8-9,14,17H,5-7,10H2,(H,21,22)/t14-/m0/s1.
What are the key properties of [1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]pyrazol-4-yl]methylcarbamic acid?
[1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]pyrazol-4-yl]methylcarbamic acid has a molecular weight of 304.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]pyrazol-4-yl]methylcarbamic acid is sourced from PubChem (CID 146194665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).