[1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C20H28N4O — CID 56779470

IUPAC[1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnn(CC2CCCN2C(=O)c2cc(C)n(CC3CC3)c2C)c1
InChIInChI=1S/C20H28N4O/c1-14-10-21-22(11-14)13-18-5-4-8-23(18)20(25)19-9-15(2)24(16(19)3)12-17-6-7-17/h9-11,17-18H,4-8,12-13H2,1-3H3
InChIKeyXDQLRDUSAGEVGW-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.32
Rot. Bonds5

About [1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

[1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 56779470) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID56779470
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name[1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnn(CC2CCCN2C(=O)c2cc(C)n(CC3CC3)c2C)c1
InChIInChI=1S/C20H28N4O/c1-14-10-21-22(11-14)13-18-5-4-8-23(18)20(25)19-9-15(2)24(16(19)3)12-17-6-7-17/h9-11,17-18H,4-8,12-13H2,1-3H3
InChIKeyXDQLRDUSAGEVGW-UHFFFAOYSA-N
XLogP3.32
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95344675
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95344674
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 129370169
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607665
(5-cyclopropyl-1-methylpyrazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56779131
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 95605676
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 95605722
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56779357
(3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607677
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95604019
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779403
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95350732

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 56779470) is [1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cnn(CC2CCCN2C(=O)c2cc(C)n(CC3CC3)c2C)c1.
What is the InChIKey of [1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is XDQLRDUSAGEVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14-10-21-22(11-14)13-18-5-4-8-23(18)20(25)19-9-15(2)24(16(19)3)12-17-6-7-17/h9-11,17-18H,4-8,12-13H2,1-3H3.
What are the key properties of [1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
[1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 340.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-2,5-dimethylpyrrol-3-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56779470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).