(2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide

C14H13BrClN3O2 — CID 52517109

IUPAC(2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
SMILESO=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)[C@H]1CCCO1
InChIInChI=1S/C14H13BrClN3O2/c15-8-3-4-10(16)9(6-8)11-7-13(19-18-11)17-14(20)12-2-1-5-21-12/h3-4,6-7,12H,1-2,5H2,(H2,17,18,19,20)/t12-/m1/s1
InChIKeyPFWHTXJEWHARRU-GFCCVEGCSA-N
MW370.63 g/mol
LogP3.61
Rot. Bonds3

About (2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide

(2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide (PubChem CID 52517109) has the molecular formula C14H13BrClN3O2 and a molecular weight of 370.63 g/mol. Its IUPAC name is (2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
PubChem CID52517109
Molecular FormulaC14H13BrClN3O2
Molecular Weight370.63 g/mol
Exact Mass368.99
IUPAC Name(2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
SMILESO=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)[C@H]1CCCO1
InChIInChI=1S/C14H13BrClN3O2/c15-8-3-4-10(16)9(6-8)11-7-13(19-18-11)17-14(20)12-2-1-5-21-12/h3-4,6-7,12H,1-2,5H2,(H2,17,18,19,20)/t12-/m1/s1
InChIKeyPFWHTXJEWHARRU-GFCCVEGCSA-N
XLogP3.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.63
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119313054
N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119313062
(2S)-N-[5-(5-chloro-2-methoxyphenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 95280930
N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 119765390
3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 104855741
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103872756
(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 113342671
(2S)-N-(5-propyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103873136
(2R)-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 95635352
(2R)-N-(5-bromo-2-methylphenyl)oxolane-2-carboxamide
CID 103849959
N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide
CID 110779487

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide (CID 52517109) is (2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide is O=C(Nc1cc(-c2cc(Br)ccc2Cl)[nH]n1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide?
The InChIKey is PFWHTXJEWHARRU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H13BrClN3O2/c15-8-3-4-10(16)9(6-8)11-7-13(19-18-11)17-14(20)12-2-1-5-21-12/h3-4,6-7,12H,1-2,5H2,(H2,17,18,19,20)/t12-/m1/s1.
What are the key properties of (2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide?
(2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide has a molecular weight of 370.63 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(5-bromo-2-chlorophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 52517109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).