(5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone

C19H26N4O2 — CID 97152845

IUPAC(5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc(C)c1[C@@H]1CCCN1C(=O)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C19H26N4O2/c1-12-17(13(2)25-22-12)16-9-6-10-23(16)19(24)15-11-20-21-18(15)14-7-4-3-5-8-14/h11,14,16H,3-10H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyWFCTUQRCLPQZLQ-INIZCTEOSA-N
MW342.44 g/mol
LogP4.04
Rot. Bonds3

About (5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone

(5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 97152845) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID97152845
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc(C)c1[C@@H]1CCCN1C(=O)c1cn[nH]c1C1CCCCC1
InChIInChI=1S/C19H26N4O2/c1-12-17(13(2)25-22-12)16-9-6-10-23(16)19(24)15-11-20-21-18(15)14-7-4-3-5-8-14/h11,14,16H,3-10H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyWFCTUQRCLPQZLQ-INIZCTEOSA-N
XLogP4.04
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 95052032
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
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[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 95722539
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 53009589
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(5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 74246122
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607665
6-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95222314
3-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]-1,5,6-trimethylpyridin-2-one
CID 126453365
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5H-imidazo[1,2-b]pyrazol-7-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone (CID 97152845) is (5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone is Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cn[nH]c1C1CCCCC1.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is WFCTUQRCLPQZLQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12-17(13(2)25-22-12)16-9-6-10-23(16)19(24)15-11-20-21-18(15)14-7-4-3-5-8-14/h11,14,16H,3-10H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone?
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97152845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).