[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone

C19H21FN6O — CID 59003579

IUPAC[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone
SMILESCc1ccc(-n2nc(C(=O)N3CCC[C@H]3CF)cc2-c2ccn(C)c2)nn1
InChIInChI=1S/C19H21FN6O/c1-13-5-6-18(22-21-13)26-17(14-7-9-24(2)12-14)10-16(23-26)19(27)25-8-3-4-15(25)11-20/h5-7,9-10,12,15H,3-4,8,11H2,1-2H3/t15-/m0/s1
InChIKeyUIERFOIMOVGLJB-HNNXBMFYSA-N
MW368.42 g/mol
LogP2.55
Rot. Bonds4

About [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone

[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone (PubChem CID 59003579) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone
PubChem CID59003579
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone
SMILESCc1ccc(-n2nc(C(=O)N3CCC[C@H]3CF)cc2-c2ccn(C)c2)nn1
InChIInChI=1S/C19H21FN6O/c1-13-5-6-18(22-21-13)26-17(14-7-9-24(2)12-14)10-16(23-26)19(27)25-8-3-4-15(25)11-20/h5-7,9-10,12,15H,3-4,8,11H2,1-2H3/t15-/m0/s1
InChIKeyUIERFOIMOVGLJB-HNNXBMFYSA-N
XLogP2.55
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone?
The IUPAC name of [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone (CID 59003579) is [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone.
What is the SMILES notation for [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone?
The canonical SMILES for [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone is Cc1ccc(-n2nc(C(=O)N3CCC[C@H]3CF)cc2-c2ccn(C)c2)nn1.
What is the InChIKey of [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone?
The InChIKey is UIERFOIMOVGLJB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-13-5-6-18(22-21-13)26-17(14-7-9-24(2)12-14)10-16(23-26)19(27)25-8-3-4-15(25)11-20/h5-7,9-10,12,15H,3-4,8,11H2,1-2H3/t15-/m0/s1.
What are the key properties of [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone?
[(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone has a molecular weight of 368.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(fluoromethyl)pyrrolidin-1-yl]-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone is sourced from PubChem (CID 59003579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).