[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

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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).