[3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C19H21N5O — CID 95317102

IUPAC[3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1-c1cc(C(=O)N2CCC[C@H]2c2cnn(C)c2)[nH]n1
InChIInChI=1S/C19H21N5O/c1-13-6-3-4-7-15(13)16-10-17(22-21-16)19(25)24-9-5-8-18(24)14-11-20-23(2)12-14/h3-4,6-7,10-12,18H,5,8-9H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyJRJQCGIHSXKNFH-SFHVURJKSA-N
MW335.41 g/mol
LogP3.10
Rot. Bonds3

About [3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

[3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 95317102) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID95317102
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1-c1cc(C(=O)N2CCC[C@H]2c2cnn(C)c2)[nH]n1
InChIInChI=1S/C19H21N5O/c1-13-6-3-4-7-15(13)16-10-17(22-21-16)19(25)24-9-5-8-18(24)14-11-20-23(2)12-14/h3-4,6-7,10-12,18H,5,8-9H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyJRJQCGIHSXKNFH-SFHVURJKSA-N
XLogP3.10
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95308695
(5-methyl-1H-pyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824930
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
(6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95569629
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95752168
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 95752169
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
(3,5-dimethyl-2-pyridinyl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 136521822
[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 92628246
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 74239837
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95342397

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 95317102) is [3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is Cc1ccccc1-c1cc(C(=O)N2CCC[C@H]2c2cnn(C)c2)[nH]n1.
What is the InChIKey of [3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JRJQCGIHSXKNFH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-6-3-4-7-15(13)16-10-17(22-21-16)19(25)24-9-5-8-18(24)14-11-20-23(2)12-14/h3-4,6-7,10-12,18H,5,8-9H2,1-2H3,(H,21,22)/t18-/m0/s1.
What are the key properties of [3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
[3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 335.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95317102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).