[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone

C15H17N3O — CID 54876822

IUPAC[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCc1ccccc1C1CCCN1C(=O)c1cn[nH]c1
InChIInChI=1S/C15H17N3O/c1-11-5-2-3-6-13(11)14-7-4-8-18(14)15(19)12-9-16-17-10-12/h2-3,5-6,9-10,14H,4,7-8H2,1H3,(H,16,17)
InChIKeyFBVKYUPNGUEDIT-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.70
Rot. Bonds2

About [2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone

[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 54876822) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is [2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID54876822
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCc1ccccc1C1CCCN1C(=O)c1cn[nH]c1
InChIInChI=1S/C15H17N3O/c1-11-5-2-3-6-13(11)14-7-4-8-18(14)15(19)12-9-16-17-10-12/h2-3,5-6,9-10,14H,4,7-8H2,1H3,(H,16,17)
InChIKeyFBVKYUPNGUEDIT-UHFFFAOYSA-N
XLogP2.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 167484817
4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119180829
(5-bromo-3-pyridinyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 61062384
(3,4-dimethoxyphenyl)-[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856046
2-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055195
(2,6-dimethoxyphenyl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053428
(3-aminophenyl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119721832
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 55142862
N-[3-acetamido-5-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 47067221
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 93373362

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 54876822) is [2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone is Cc1ccccc1C1CCCN1C(=O)c1cn[nH]c1.
What is the InChIKey of [2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is FBVKYUPNGUEDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-5-2-3-6-13(11)14-7-4-8-18(14)15(19)12-9-16-17-10-12/h2-3,5-6,9-10,14H,4,7-8H2,1H3,(H,16,17).
What are the key properties of [2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 255.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 54876822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).