(1-methylpyrazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone

C17H21N3O — CID 47062582

IUPAC(1-methylpyrazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCCC2CCc2ccccc2)cn1
InChIInChI=1S/C17H21N3O/c1-19-13-15(12-18-19)17(21)20-11-5-8-16(20)10-9-14-6-3-2-4-7-14/h2-4,6-7,12-13,16H,5,8-11H2,1H3
InChIKeyYBJWTGCPLWYJMO-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.66
Rot. Bonds4

About (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone (PubChem CID 47062582) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
PubChem CID47062582
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(1-methylpyrazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCCC2CCc2ccccc2)cn1
InChIInChI=1S/C17H21N3O/c1-19-13-15(12-18-19)17(21)20-11-5-8-16(20)10-9-14-6-3-2-4-7-14/h2-4,6-7,12-13,16H,5,8-11H2,1H3
InChIKeyYBJWTGCPLWYJMO-UHFFFAOYSA-N
XLogP2.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1502164
1-Benzyl-1H-pyrazole-4-carbaldehyde
CID 6484676
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CID 24793689
Methanone, (2,3-dihydro-1H-indol-1-yl)(1-methyl-1H-pyrazol-4-yl)-
CID 844673
N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 56668800
US9670157, 85 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-benzyl]-1H-pyrazole-4-carboxylic acid 4-aminomethyl-benzylamide
CID 86290349
1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 1225887
N-(2-fluorobenzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1225332
1-(2-Methyl-2,3-dihydroindol-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 24790940
2-methyl-1-[3-(3-methyl-1H-pyrazol-1-yl)propanoyl]indoline
CID 24793569
US9670157, 111 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-benzyl]-1H-pyrazole-4-carboxylic acid 4-aminomethyl-2,6-dimethyl-benzylamide
CID 86290482
1-Isopropyl-1H-pyrazole-4-carboxylic acid benzyl-cyclopentylcarbamoylmethyl-amide
CID 654451

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone (CID 47062582) is (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone is Cn1cc(C(=O)N2CCCC2CCc2ccccc2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The InChIKey is YBJWTGCPLWYJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19-13-15(12-18-19)17(21)20-11-5-8-16(20)10-9-14-6-3-2-4-7-14/h2-4,6-7,12-13,16H,5,8-11H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone has a molecular weight of 283.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 47062582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).