(4,5-dimethyl-1H-pyrazol-3-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone

C11H16FN3O — CID 164629394

IUPAC(4,5-dimethyl-1H-pyrazol-3-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone
SMILESCc1[nH]nc(C(=O)N2CCC[C@@H]2CF)c1C
InChIInChI=1S/C11H16FN3O/c1-7-8(2)13-14-10(7)11(16)15-5-3-4-9(15)6-12/h9H,3-6H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyNNTZWTMTINXKOU-SECBINFHSA-N
MW225.27 g/mol
LogP1.60
Rot. Bonds2

About (4,5-dimethyl-1H-pyrazol-3-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone

(4,5-dimethyl-1H-pyrazol-3-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 164629394) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is (4,5-dimethyl-1H-pyrazol-3-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4,5-dimethyl-1H-pyrazol-3-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID164629394
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name(4,5-dimethyl-1H-pyrazol-3-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone
SMILESCc1[nH]nc(C(=O)N2CCC[C@@H]2CF)c1C
InChIInChI=1S/C11H16FN3O/c1-7-8(2)13-14-10(7)11(16)15-5-3-4-9(15)6-12/h9H,3-6H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyNNTZWTMTINXKOU-SECBINFHSA-N
XLogP1.60
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1H-pyrazol-3-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4,5-dimethyl-1H-pyrazol-3-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone (CID 164629394) is (4,5-dimethyl-1H-pyrazol-3-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4,5-dimethyl-1H-pyrazol-3-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4,5-dimethyl-1H-pyrazol-3-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone is Cc1[nH]nc(C(=O)N2CCC[C@@H]2CF)c1C.
What is the InChIKey of (4,5-dimethyl-1H-pyrazol-3-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is NNTZWTMTINXKOU-SECBINFHSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-8(2)13-14-10(7)11(16)15-5-3-4-9(15)6-12/h9H,3-6H2,1-2H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (4,5-dimethyl-1H-pyrazol-3-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone?
(4,5-dimethyl-1H-pyrazol-3-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 225.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1H-pyrazol-3-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164629394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).