(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C16H21ClN4O — CID 95351800

IUPAC(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n(C[C@H]2CCCN2C(=O)c2cc(Cl)cn2C)n1
InChIInChI=1S/C16H21ClN4O/c1-11-7-12(2)21(18-11)10-14-5-4-6-20(14)16(22)15-8-13(17)9-19(15)3/h7-9,14H,4-6,10H2,1-3H3/t14-/m1/s1
InChIKeyFOODKNYUHJGBLT-CQSZACIVSA-N
MW320.82 g/mol
LogP2.80
Rot. Bonds3

About (4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 95351800) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is (4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID95351800
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n(C[C@H]2CCCN2C(=O)c2cc(Cl)cn2C)n1
InChIInChI=1S/C16H21ClN4O/c1-11-7-12(2)21(18-11)10-14-5-4-6-20(14)16(22)15-8-13(17)9-19(15)3/h7-9,14H,4-6,10H2,1-3H3/t14-/m1/s1
InChIKeyFOODKNYUHJGBLT-CQSZACIVSA-N
XLogP2.80
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 56779568
(3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 56780200
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 56779550
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605928
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 95342850
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-[(3R)-1-methylpyrrolidin-3-yl]methanone
CID 95350973
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605972
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95602905
[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56778956
5-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 95350716
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 95350753
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 95605903

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 95351800) is (4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2cc(Cl)cn2C)n1.
What is the InChIKey of (4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is FOODKNYUHJGBLT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-11-7-12(2)21(18-11)10-14-5-4-6-20(14)16(22)15-8-13(17)9-19(15)3/h7-9,14H,4-6,10H2,1-3H3/t14-/m1/s1.
What are the key properties of (4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 320.82 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95351800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).