ethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate

C16H19N3O4 — CID 97150039

IUPACethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn([C@@H]2CCCN(C(=O)c3ccco3)C2)c1
InChIInChI=1S/C16H19N3O4/c1-2-22-16(21)12-9-17-19(10-12)13-5-3-7-18(11-13)15(20)14-6-4-8-23-14/h4,6,8-10,13H,2-3,5,7,11H2,1H3/t13-/m1/s1
InChIKeyAOMRPCTXQZZFKA-CYBMUJFWSA-N
MW317.35 g/mol
LogP2.13
Rot. Bonds4

About ethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate

ethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate (PubChem CID 97150039) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is ethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate
PubChem CID97150039
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Nameethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn([C@@H]2CCCN(C(=O)c3ccco3)C2)c1
InChIInChI=1S/C16H19N3O4/c1-2-22-16(21)12-9-17-19(10-12)13-5-3-7-18(11-13)15(20)14-6-4-8-23-14/h4,6,8-10,13H,2-3,5,7,11H2,1H3/t13-/m1/s1
InChIKeyAOMRPCTXQZZFKA-CYBMUJFWSA-N
XLogP2.13
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[(3R)-1-(1H-pyrrole-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate
CID 97157631
ethyl 1-[(3S)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate
CID 97150054
1-[(3S)-1-(3-methylfuran-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 97332238
1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 47019411
ethyl 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17081710
1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 166193415
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95286307
1-[1-(4-benzyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 166304225
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate
CID 110672918
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95382967
1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 75514798

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate (CID 97150039) is ethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate is CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)c3ccco3)C2)c1.
What is the InChIKey of ethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate?
The InChIKey is AOMRPCTXQZZFKA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-2-22-16(21)12-9-17-19(10-12)13-5-3-7-18(11-13)15(20)14-6-4-8-23-14/h4,6,8-10,13H,2-3,5,7,11H2,1H3/t13-/m1/s1.
What are the key properties of ethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate?
ethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate is sourced from PubChem (CID 97150039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).