(1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone

C15H22N6O — CID 164632354

IUPAC(1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CC[C@H](Cc3nncn3CC)C2)n1
InChIInChI=1S/C15H22N6O/c1-3-19-11-16-17-14(19)9-12-5-7-20(10-12)15(22)13-6-8-21(4-2)18-13/h6,8,11-12H,3-5,7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyWEGHACYCZRGHNA-GFCCVEGCSA-N
MW302.38 g/mol
LogP1.22
Rot. Bonds5

About (1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 164632354) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID164632354
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name(1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CC[C@H](Cc3nncn3CC)C2)n1
InChIInChI=1S/C15H22N6O/c1-3-19-11-16-17-14(19)9-12-5-7-20(10-12)15(22)13-6-8-21(4-2)18-13/h6,8,11-12H,3-5,7,9-10H2,1-2H3/t12-/m1/s1
InChIKeyWEGHACYCZRGHNA-GFCCVEGCSA-N
XLogP1.22
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-ethylpyrazol-3-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166619910
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CID 56725198
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633373
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
(1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 163333524
(1-methylpyrazol-3-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 127245559
(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70744049
[3-(chloromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122422
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone
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3-(cycloheptylmethyl)-4-ethyl-1,2,4-triazole
CID 114459441
2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide
CID 110246315

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone (CID 164632354) is (1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone is CCn1ccc(C(=O)N2CC[C@H](Cc3nncn3CC)C2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is WEGHACYCZRGHNA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N6O/c1-3-19-11-16-17-14(19)9-12-5-7-20(10-12)15(22)13-6-8-21(4-2)18-13/h6,8,11-12H,3-5,7,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164632354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).