ethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate

C15H20ClN3O3 — CID 96538156

IUPACethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2n[nH]c(C3CC3)c2Cl)C1
InChIInChI=1S/C15H20ClN3O3/c1-2-22-15(21)10-4-3-7-19(8-10)14(20)13-11(16)12(17-18-13)9-5-6-9/h9-10H,2-8H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyPJKPAIFRJKEJAT-SNVBAGLBSA-N
MW325.80 g/mol
LogP2.36
Rot. Bonds4

About ethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate

ethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate (PubChem CID 96538156) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is ethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
PubChem CID96538156
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Nameethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)c2n[nH]c(C3CC3)c2Cl)C1
InChIInChI=1S/C15H20ClN3O3/c1-2-22-15(21)10-4-3-7-19(8-10)14(20)13-11(16)12(17-18-13)9-5-6-9/h9-10H,2-8H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyPJKPAIFRJKEJAT-SNVBAGLBSA-N
XLogP2.36
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
CID 62081053
ethyl 1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylate
CID 136832041
ethyl 1-(3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-3-carboxylate
CID 91959659
ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate
CID 43404461
ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate
CID 60859036
(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47427180
ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate
CID 106688676
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
3-(azepane-1-carbonyl)-5-cyclopropyl-1H-pyrazole-4-sulfonamide
CID 65374240
ethyl (3S)-1-(4-chloropyridine-3-carbonyl)piperidine-3-carboxylate
CID 103873858
methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
CID 115533013

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate (CID 96538156) is ethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)c2n[nH]c(C3CC3)c2Cl)C1.
What is the InChIKey of ethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is PJKPAIFRJKEJAT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-2-22-15(21)10-4-3-7-19(8-10)14(20)13-11(16)12(17-18-13)9-5-6-9/h9-10H,2-8H2,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of ethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate?
ethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 325.80 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 96538156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).