(1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone

C19H25N3O — CID 42820297

IUPAC(1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESCCc1nn(Cc2ccccc2)c(CC)c1C(=O)N1CCCC1
InChIInChI=1S/C19H25N3O/c1-3-16-18(19(23)21-12-8-9-13-21)17(4-2)22(20-16)14-15-10-6-5-7-11-15/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3
InChIKeyGVRSSGDIICGMTC-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.29
Rot. Bonds5

About (1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone

(1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 42820297) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID42820297
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESCCc1nn(Cc2ccccc2)c(CC)c1C(=O)N1CCCC1
InChIInChI=1S/C19H25N3O/c1-3-16-18(19(23)21-12-8-9-13-21)17(4-2)22(20-16)14-15-10-6-5-7-11-15/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3
InChIKeyGVRSSGDIICGMTC-UHFFFAOYSA-N
XLogP3.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzyl-3,5-diethylpyrazol-4-yl)ethanone
CID 82697978
1-[(4-bromophenyl)methyl]-3,5-diethylpyrazole-4-carboxylic acid
CID 107430899
1-benzyl-3,5-diethylpyrazol-4-amine
CID 82702837
(1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 42817686
2-[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 78887521
N-[(1-benzyl-3,5-diethylpyrazol-4-yl)methyl]-2-chloroacetamide
CID 146094539
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
[1-benzyl-5-methyl-3-(2-methylpropyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 42820374
(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 119402258
(1-benzyl-5-methoxytriazol-4-yl)-piperidin-1-ylmethanone
CID 91938610
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 78874114
(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 9041474

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone (CID 42820297) is (1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone is CCc1nn(Cc2ccccc2)c(CC)c1C(=O)N1CCCC1.
What is the InChIKey of (1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is GVRSSGDIICGMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-16-18(19(23)21-12-8-9-13-21)17(4-2)22(20-16)14-15-10-6-5-7-11-15/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3.
What are the key properties of (1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone?
(1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 311.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42820297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).