(1-cyclobutylpyrazol-4-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone

C16H21N5O2 — CID 167867342

IUPAC(1-cyclobutylpyrazol-4-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
SMILESCO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cnn(C3CCC3)c2)C1
InChIInChI=1S/C16H21N5O2/c1-23-13-7-14(15-17-5-6-18-15)20(10-13)16(22)11-8-19-21(9-11)12-3-2-4-12/h5-6,8-9,12-14H,2-4,7,10H2,1H3,(H,17,18)/t13-,14+/m1/s1
InChIKeyWEIRSUFWFKUQLR-KGLIPLIRSA-N
MW315.38 g/mol
LogP1.93
Rot. Bonds4

About (1-cyclobutylpyrazol-4-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone

(1-cyclobutylpyrazol-4-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone (PubChem CID 167867342) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (1-cyclobutylpyrazol-4-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclobutylpyrazol-4-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
PubChem CID167867342
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(1-cyclobutylpyrazol-4-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
SMILESCO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cnn(C3CCC3)c2)C1
InChIInChI=1S/C16H21N5O2/c1-23-13-7-14(15-17-5-6-18-15)20(10-13)16(22)11-8-19-21(9-11)12-3-2-4-12/h5-6,8-9,12-14H,2-4,7,10H2,1H3,(H,17,18)/t13-,14+/m1/s1
InChIKeyWEIRSUFWFKUQLR-KGLIPLIRSA-N
XLogP1.93
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-tert-butyl-1,2,4-triazol-3-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 154762137
1H-imidazo[4,5-b]pyridin-5-yl-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 154765161
(3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 154765171
4-chloro-3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidine-1-carbonyl]benzonitrile
CID 167987275
[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
CID 154784880
(7-chloro-3-methyl-1H-indol-2-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 154784698
(2S,4S)-2-(1H-imidazol-2-yl)-4-methylpyrrolidine-1-carboxylic acid
CID 89103770
3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 167931781
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 129006467
1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one
CID 83878117
1-cyclohexylpyrazole-4-carbonyl chloride
CID 83814222
(2S,4R)-N-(1-cyclobutylpiperidin-4-yl)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
CID 128889287

Frequently Asked Questions

What is the IUPAC name of (1-cyclobutylpyrazol-4-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone?
The IUPAC name of (1-cyclobutylpyrazol-4-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone (CID 167867342) is (1-cyclobutylpyrazol-4-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-cyclobutylpyrazol-4-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone?
The canonical SMILES for (1-cyclobutylpyrazol-4-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone is CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)c2cnn(C3CCC3)c2)C1.
What is the InChIKey of (1-cyclobutylpyrazol-4-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone?
The InChIKey is WEIRSUFWFKUQLR-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-23-13-7-14(15-17-5-6-18-15)20(10-13)16(22)11-8-19-21(9-11)12-3-2-4-12/h5-6,8-9,12-14H,2-4,7,10H2,1H3,(H,17,18)/t13-,14+/m1/s1.
What are the key properties of (1-cyclobutylpyrazol-4-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone?
(1-cyclobutylpyrazol-4-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone has a molecular weight of 315.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutylpyrazol-4-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 167867342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).