ethyl 5-chloro-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxylate

C19H23ClN4O3 — CID 92593003

IUPACethyl 5-chloro-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)CCn2cccn2)CC1
InChIInChI=1S/C19H23ClN4O3/c1-2-27-19(26)16-12-15(20)13-21-18(16)14-4-9-23(10-5-14)17(25)6-11-24-8-3-7-22-24/h3,7-8,12-14H,2,4-6,9-11H2,1H3
InChIKeyJPRXXKSBFQRWOR-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.90
Rot. Bonds6

About ethyl 5-chloro-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxylate

ethyl 5-chloro-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxylate (PubChem CID 92593003) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is ethyl 5-chloro-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxylate
PubChem CID92593003
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Nameethyl 5-chloro-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)CCn2cccn2)CC1
InChIInChI=1S/C19H23ClN4O3/c1-2-27-19(26)16-12-15(20)13-21-18(16)14-4-9-23(10-5-14)17(25)6-11-24-8-3-7-22-24/h3,7-8,12-14H,2,4-6,9-11H2,1H3
InChIKeyJPRXXKSBFQRWOR-UHFFFAOYSA-N
XLogP2.90
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate
CID 112694248
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CID 92593007
ethyl 5-chloro-2-[1-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxylate
CID 110245329
1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71934218
ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate
CID 52906692
4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one
CID 135113601
1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119410423
1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 176931568
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 112630745
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
5-chloro-2-ethoxycarbonylpyridine-3-carboxylic acid
CID 131431578
ethyl 4-methyl-2-(2-pyrazol-1-ylethylamino)pyrimidine-5-carboxylate
CID 83179327

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-chloro-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxylate (CID 92593003) is ethyl 5-chloro-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxylate is CCOC(=O)c1cc(Cl)cnc1C1CCN(C(=O)CCn2cccn2)CC1.
What is the InChIKey of ethyl 5-chloro-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxylate?
The InChIKey is JPRXXKSBFQRWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-2-27-19(26)16-12-15(20)13-21-18(16)14-4-9-23(10-5-14)17(25)6-11-24-8-3-7-22-24/h3,7-8,12-14H,2,4-6,9-11H2,1H3.
What are the key properties of ethyl 5-chloro-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxylate?
ethyl 5-chloro-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxylate has a molecular weight of 390.87 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]pyridine-3-carboxylate is sourced from PubChem (CID 92593003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).