4-chloro-N-[3-(morpholin-4-ylmethyl)phenyl]-5-nitropyrazolidine-3-carboxamide

C15H20ClN5O4 — CID 73344950

IUPAC4-chloro-N-[3-(morpholin-4-ylmethyl)phenyl]-5-nitropyrazolidine-3-carboxamide
SMILESO=C(Nc1cccc(CN2CCOCC2)c1)C1NNC([N+](=O)[O-])C1Cl
InChIInChI=1S/C15H20ClN5O4/c16-12-13(18-19-14(12)21(23)24)15(22)17-11-3-1-2-10(8-11)9-20-4-6-25-7-5-20/h1-3,8,12-14,18-19H,4-7,9H2,(H,17,22)
InChIKeyFZADOHZQLIACBN-UHFFFAOYSA-N
MW369.81 g/mol
LogP0.14
Rot. Bonds5

About 4-chloro-N-[3-(morpholin-4-ylmethyl)phenyl]-5-nitropyrazolidine-3-carboxamide

4-chloro-N-[3-(morpholin-4-ylmethyl)phenyl]-5-nitropyrazolidine-3-carboxamide (PubChem CID 73344950) has the molecular formula C15H20ClN5O4 and a molecular weight of 369.81 g/mol. Its IUPAC name is 4-chloro-N-[3-(morpholin-4-ylmethyl)phenyl]-5-nitropyrazolidine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(morpholin-4-ylmethyl)phenyl]-5-nitropyrazolidine-3-carboxamide
PubChem CID73344950
Molecular FormulaC15H20ClN5O4
Molecular Weight369.81 g/mol
Exact Mass369.12
IUPAC Name4-chloro-N-[3-(morpholin-4-ylmethyl)phenyl]-5-nitropyrazolidine-3-carboxamide
SMILESO=C(Nc1cccc(CN2CCOCC2)c1)C1NNC([N+](=O)[O-])C1Cl
InChIInChI=1S/C15H20ClN5O4/c16-12-13(18-19-14(12)21(23)24)15(22)17-11-3-1-2-10(8-11)9-20-4-6-25-7-5-20/h1-3,8,12-14,18-19H,4-7,9H2,(H,17,22)
InChIKeyFZADOHZQLIACBN-UHFFFAOYSA-N
XLogP0.14
TPSA108.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120939995
cis-(1R,2S)-N-[3-(morpholin-4-ylmethyl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 51699063
[3-(morpholin-4-ylmethyl)phenyl]thiourea
CID 97033783
(Z)-3-(furan-2-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 97456575
1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea
CID 4152907
1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 51096615
N-[3-(morpholin-4-ylmethyl)phenyl]-2-phenoxy-2-phenylacetamide
CID 47776428
(2R,3S)-2-methyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120940530
N-[3-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 47776622
methyl 2-ethyl-4-methyl-5-[[3-(morpholin-4-ylmethyl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 47793381
1-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477537
5-bromo-N-[3-(morpholin-4-ylmethyl)phenyl]-3-nitropyridin-2-amine
CID 22727949

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(morpholin-4-ylmethyl)phenyl]-5-nitropyrazolidine-3-carboxamide?
The IUPAC name of 4-chloro-N-[3-(morpholin-4-ylmethyl)phenyl]-5-nitropyrazolidine-3-carboxamide (CID 73344950) is 4-chloro-N-[3-(morpholin-4-ylmethyl)phenyl]-5-nitropyrazolidine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(morpholin-4-ylmethyl)phenyl]-5-nitropyrazolidine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(morpholin-4-ylmethyl)phenyl]-5-nitropyrazolidine-3-carboxamide is O=C(Nc1cccc(CN2CCOCC2)c1)C1NNC([N+](=O)[O-])C1Cl.
What is the InChIKey of 4-chloro-N-[3-(morpholin-4-ylmethyl)phenyl]-5-nitropyrazolidine-3-carboxamide?
The InChIKey is FZADOHZQLIACBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O4/c16-12-13(18-19-14(12)21(23)24)15(22)17-11-3-1-2-10(8-11)9-20-4-6-25-7-5-20/h1-3,8,12-14,18-19H,4-7,9H2,(H,17,22).
What are the key properties of 4-chloro-N-[3-(morpholin-4-ylmethyl)phenyl]-5-nitropyrazolidine-3-carboxamide?
4-chloro-N-[3-(morpholin-4-ylmethyl)phenyl]-5-nitropyrazolidine-3-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(morpholin-4-ylmethyl)phenyl]-5-nitropyrazolidine-3-carboxamide is sourced from PubChem (CID 73344950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).