(1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone

C21H27N3O — CID 71854094

IUPAC(1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCn1cc(CC2CCN(C(=O)C3(Cc4ccccc4)CCC3)C2)cn1
InChIInChI=1S/C21H27N3O/c1-23-15-19(14-22-23)12-18-8-11-24(16-18)20(25)21(9-5-10-21)13-17-6-3-2-4-7-17/h2-4,6-7,14-15,18H,5,8-13,16H2,1H3
InChIKeyVDYYTXKDHPWHKA-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.22
Rot. Bonds5

About (1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone

(1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 71854094) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID71854094
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCn1cc(CC2CCN(C(=O)C3(Cc4ccccc4)CCC3)C2)cn1
InChIInChI=1S/C21H27N3O/c1-23-15-19(14-22-23)12-18-8-11-24(16-18)20(25)21(9-5-10-21)13-17-6-3-2-4-7-17/h2-4,6-7,14-15,18H,5,8-13,16H2,1H3
InChIKeyVDYYTXKDHPWHKA-UHFFFAOYSA-N
XLogP3.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride
CID 119486862
(2S)-1-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 136580853
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone
CID 119486293
cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 97319161
(4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride
CID 155820492
[2-(2-methylphenyl)cyclopropyl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 71866030
3-[(1-methylpyrazol-4-yl)methyl]-N-(naphthalen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 71865708
[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 124735224
[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 108971633
(1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97328635
(3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120622597
4-(1-benzylcyclobutanecarbonyl)morpholine-2-carboxylic acid
CID 71914349

Frequently Asked Questions

What is the IUPAC name of (1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone (CID 71854094) is (1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone is Cn1cc(CC2CCN(C(=O)C3(Cc4ccccc4)CCC3)C2)cn1.
What is the InChIKey of (1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is VDYYTXKDHPWHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-23-15-19(14-22-23)12-18-8-11-24(16-18)20(25)21(9-5-10-21)13-17-6-3-2-4-7-17/h2-4,6-7,14-15,18H,5,8-13,16H2,1H3.
What are the key properties of (1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
(1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 337.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71854094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).