[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone

C20H23N5O — CID 95605825

IUPAC[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone
SMILESCc1cnn(C[C@H]2CCCN2C(=O)c2cccn2Cc2ccncc2)c1
InChIInChI=1S/C20H23N5O/c1-16-12-22-24(13-16)15-18-4-2-11-25(18)20(26)19-5-3-10-23(19)14-17-6-8-21-9-7-17/h3,5-10,12-13,18H,2,4,11,14-15H2,1H3/t18-/m1/s1
InChIKeyBQMRAUUGIKNQAK-GOSISDBHSA-N
MW349.44 g/mol
LogP2.74
Rot. Bonds5

About [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone

[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone (PubChem CID 95605825) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone
PubChem CID95605825
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone
SMILESCc1cnn(C[C@H]2CCCN2C(=O)c2cccn2Cc2ccncc2)c1
InChIInChI=1S/C20H23N5O/c1-16-12-22-24(13-16)15-18-4-2-11-25(18)20(26)19-5-3-10-23(19)14-17-6-8-21-9-7-17/h3,5-10,12-13,18H,2,4,11,14-15H2,1H3/t18-/m1/s1
InChIKeyBQMRAUUGIKNQAK-GOSISDBHSA-N
XLogP2.74
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 95605676
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone
CID 95285064
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56779357
[(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]piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 95319035
1-benzofuran-2-yl-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95351459
imidazo[1,2-a]pyridin-2-yl-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95604014
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 95605722
(3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607677
2H-benzotriazol-5-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95349539
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 95350860

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone?
The IUPAC name of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone (CID 95605825) is [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone.
What is the SMILES notation for [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone?
The canonical SMILES for [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone is Cc1cnn(C[C@H]2CCCN2C(=O)c2cccn2Cc2ccncc2)c1.
What is the InChIKey of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone?
The InChIKey is BQMRAUUGIKNQAK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N5O/c1-16-12-22-24(13-16)15-18-4-2-11-25(18)20(26)19-5-3-10-23(19)14-17-6-8-21-9-7-17/h3,5-10,12-13,18H,2,4,11,14-15H2,1H3/t18-/m1/s1.
What are the key properties of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone?
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone has a molecular weight of 349.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 95605825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).