(5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C14H15BrN4O — CID 167886147

IUPAC(5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(Br)cnc1C(=O)N1CCC[C@H]1c1ccn[nH]1
InChIInChI=1S/C14H15BrN4O/c1-9-7-10(15)8-16-13(9)14(20)19-6-2-3-12(19)11-4-5-17-18-11/h4-5,7-8,12H,2-3,6H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyGWBBUQIWRGMEHQ-LBPRGKRZSA-N
MW335.21 g/mol
LogP2.85
Rot. Bonds2

About (5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

(5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 167886147) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is (5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID167886147
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name(5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(Br)cnc1C(=O)N1CCC[C@H]1c1ccn[nH]1
InChIInChI=1S/C14H15BrN4O/c1-9-7-10(15)8-16-13(9)14(20)19-6-2-3-12(19)11-4-5-17-18-11/h4-5,7-8,12H,2-3,6H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyGWBBUQIWRGMEHQ-LBPRGKRZSA-N
XLogP2.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270861
1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone
CID 99801050
[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124641151
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125002293
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124944774
cis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122066333
N-[4-[(2S)-2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2-pyridinyl]acetamide
CID 124985015
[(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95821620
3,3-dimethyl-1-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 95821595
(1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110259105
(2-chlorophenyl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 123681411
4-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 118741468

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 167886147) is (5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is Cc1cc(Br)cnc1C(=O)N1CCC[C@H]1c1ccn[nH]1.
What is the InChIKey of (5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is GWBBUQIWRGMEHQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-9-7-10(15)8-16-13(9)14(20)19-6-2-3-12(19)11-4-5-17-18-11/h4-5,7-8,12H,2-3,6H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
(5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 335.21 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyl-2-pyridinyl)-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 167886147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).