1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]-N,N-dimethylpiperidin-4-amine

C18H25N5O3 — CID 156744525

IUPAC1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]-N,N-dimethylpiperidin-4-amine
SMILESCOc1cc(N2CCC(N(C)C)CC2)c(-c2cnn(C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H25N5O3/c1-20(2)14-5-7-22(8-6-14)16-10-18(26-4)17(23(24)25)9-15(16)13-11-19-21(3)12-13/h9-12,14H,5-8H2,1-4H3
InChIKeyNSPFNQRZFYTNFL-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.53
Rot. Bonds5

About 1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]-N,N-dimethylpiperidin-4-amine

1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 156744525) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]-N,N-dimethylpiperidin-4-amine
PubChem CID156744525
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]-N,N-dimethylpiperidin-4-amine
SMILESCOc1cc(N2CCC(N(C)C)CC2)c(-c2cnn(C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H25N5O3/c1-20(2)14-5-7-22(8-6-14)16-10-18(26-4)17(23(24)25)9-15(16)13-11-19-21(3)12-13/h9-12,14H,5-8H2,1-4H3
InChIKeyNSPFNQRZFYTNFL-UHFFFAOYSA-N
XLogP2.53
TPSA76.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[[1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecane;hydrochloride
CID 175549379
5-(1-ethylpyrazol-4-yl)-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;1-[1-[2-(1-ethylpyrazol-4-yl)-5-methoxy-4-nitrophenyl]piperidin-4-yl]-4-methylpiperazine;methanol
CID 167581665
methyl 5-[9-[[1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]pyridine-2-carboxylate
CID 166095370
dipotassium;4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methylpyrazole;hydride;4-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]morpholine;morpholine;oxido formate
CID 167564331
(2S,6R)-4-[5-ethoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]-2,6-dimethylmorpholine
CID 170774321
tert-butyl 2-tert-butyl-4-fluoro-4-[[4-[1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]piperidin-4-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 166095577
2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]piperidin-4-yl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione
CID 166095609
2-methoxy-4-(1-methylpyrazol-4-yl)-5-nitroaniline
CID 121280739
N-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 166095575
5-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]-3,9-diazaspiro[5.5]undecane
CID 175986831
7-(2-fluoro-5-methoxy-4-nitrophenyl)-N,N-dimethyl-7-azaspiro[3.5]nonan-2-amine
CID 177085209
5-bromo-2-N-[2-methoxy-5-(1-methylpyrazol-4-yl)-4-morpholin-4-ylphenyl]-4-N-(2-nitrophenyl)pyrimidine-2,4-diamine
CID 168838602

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]-N,N-dimethylpiperidin-4-amine (CID 156744525) is 1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]-N,N-dimethylpiperidin-4-amine is COc1cc(N2CCC(N(C)C)CC2)c(-c2cnn(C)c2)cc1[N+](=O)[O-].
What is the InChIKey of 1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is NSPFNQRZFYTNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-20(2)14-5-7-22(8-6-14)16-10-18(26-4)17(23(24)25)9-15(16)13-11-19-21(3)12-13/h9-12,14H,5-8H2,1-4H3.
What are the key properties of 1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]-N,N-dimethylpiperidin-4-amine?
1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 359.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 156744525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).