[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone

C16H24N4O2 — CID 92633373

IUPAC[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
SMILESCCn1ccc(C(=O)N2CC[C@@H](C(=O)N3CCCCC3)C2)n1
InChIInChI=1S/C16H24N4O2/c1-2-20-11-7-14(17-20)16(22)19-10-6-13(12-19)15(21)18-8-4-3-5-9-18/h7,11,13H,2-6,8-10,12H2,1H3/t13-/m1/s1
InChIKeyGEPYHABXTFEOLP-CYBMUJFWSA-N
MW304.39 g/mol
LogP1.38
Rot. Bonds3

About [(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone

[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 92633373) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
PubChem CID92633373
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
SMILESCCn1ccc(C(=O)N2CC[C@@H](C(=O)N3CCCCC3)C2)n1
InChIInChI=1S/C16H24N4O2/c1-2-20-11-7-14(17-20)16(22)19-10-6-13(12-19)15(21)18-8-4-3-5-9-18/h7,11,13H,2-6,8-10,12H2,1H3/t13-/m1/s1
InChIKeyGEPYHABXTFEOLP-CYBMUJFWSA-N
XLogP1.38
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
(1-ethylpyrazol-3-yl)-[4-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 110082899
(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone
CID 56725198
(1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 163333524
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 95750159
(1-ethylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 53185864
N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide
CID 92634374
(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70744049
(1-ethylpyrazol-3-yl)-[(3R)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 164632354
[1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 70713232
5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 110083029

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone (CID 92633373) is [(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone is CCn1ccc(C(=O)N2CC[C@@H](C(=O)N3CCCCC3)C2)n1.
What is the InChIKey of [(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is GEPYHABXTFEOLP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-20-11-7-14(17-20)16(22)19-10-6-13(12-19)15(21)18-8-4-3-5-9-18/h7,11,13H,2-6,8-10,12H2,1H3/t13-/m1/s1.
What are the key properties of [(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 92633373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).