N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide

C14H15ClN4O2 — CID 119773578

IUPACN-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide
SMILESO=C(Nc1ccnn1-c1cccc(Cl)c1)C1CNCCO1
InChIInChI=1S/C14H15ClN4O2/c15-10-2-1-3-11(8-10)19-13(4-5-17-19)18-14(20)12-9-16-6-7-21-12/h1-5,8,12,16H,6-7,9H2,(H,18,20)
InChIKeyNZEPIEUZFAWJON-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.45
Rot. Bonds3

About N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide

N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide (PubChem CID 119773578) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide
PubChem CID119773578
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC NameN-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide
SMILESO=C(Nc1ccnn1-c1cccc(Cl)c1)C1CNCCO1
InChIInChI=1S/C14H15ClN4O2/c15-10-2-1-3-11(8-10)19-13(4-5-17-19)18-14(20)12-9-16-6-7-21-12/h1-5,8,12,16H,6-7,9H2,(H,18,20)
InChIKeyNZEPIEUZFAWJON-UHFFFAOYSA-N
XLogP1.45
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-methoxyacetamide
CID 71993390
N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide
CID 71993387
N-[2-(4-chlorophenyl)pyrazol-3-yl]-3-ethoxypropanamide
CID 72118219
N-[1-(3-chlorophenyl)-5-methylpyrazol-3-yl]morpholine-4-carboxamide
CID 84597801
N-[1-(1-beta-alanylpiperidin-4-yl)-1H-pyrazol-5-yl]-N'-(2-chlorophenyl)urea
CID 56742104
N-(1-(1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-methyl-1H-pyrazol-5-yl)-2-methoxyacetamide
CID 135880908
(2S,3S)-N-[1-(4-chlorophenyl)pyrazol-3-yl]-3-methyl-1,4-dioxane-2-carboxamide
CID 136586600
(2S)-4-[[1-(2,4-dichlorophenyl)pyrazol-3-yl]carbamoyl]morpholine-2-carboxylic acid
CID 164637700
1-(3-Chloro-2-fluorophenyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
CID 75521200
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]morpholine-2-carboxamide
CID 119680135
(2R)-N-[2-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]morpholine-2-carboxamide
CID 120453072
N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-(oxan-2-ylmethoxy)propanamide
CID 121548374

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide (CID 119773578) is N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide is O=C(Nc1ccnn1-c1cccc(Cl)c1)C1CNCCO1.
What is the InChIKey of N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide?
The InChIKey is NZEPIEUZFAWJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-10-2-1-3-11(8-10)19-13(4-5-17-19)18-14(20)12-9-16-6-7-21-12/h1-5,8,12,16H,6-7,9H2,(H,18,20).
What are the key properties of N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide?
N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)pyrazol-3-yl]morpholine-2-carboxamide is sourced from PubChem (CID 119773578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).