N-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine

C18H25N5O4 — CID 133446885

IUPACN-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
SMILESCOc1cc(Nc2cnn(CCN3CCCCC3)c2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H25N5O4/c1-26-17-10-15(16(23(24)25)11-18(17)27-2)20-14-12-19-22(13-14)9-8-21-6-4-3-5-7-21/h10-13,20H,3-9H2,1-2H3
InChIKeyUNOZVTSHVHESEW-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.04
Rot. Bonds8

About N-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine

N-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine (PubChem CID 133446885) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
PubChem CID133446885
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC NameN-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
SMILESCOc1cc(Nc2cnn(CCN3CCCCC3)c2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H25N5O4/c1-26-17-10-15(16(23(24)25)11-18(17)27-2)20-14-12-19-22(13-14)9-8-21-6-4-3-5-7-21/h10-13,20H,3-9H2,1-2H3
InChIKeyUNOZVTSHVHESEW-UHFFFAOYSA-N
XLogP3.04
TPSA94.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

N-(2,4-dinitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine
CID 133446904
methyl 2-nitro-5-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]benzoate
CID 133446833
6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine
CID 133446818
N-(5-fluoro-2-nitrophenyl)-1-(2-methoxyethyl)pyrazol-4-amine
CID 62375922
1-ethyl-N-(3-methoxy-4-nitrophenyl)pyrazol-4-amine
CID 63671776
1-[(4,5-dimethoxy-2-nitrophenyl)methyl]piperidine
CID 783473
N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine
CID 133389844
4,5-dimethoxy-2-nitro-N-phenylaniline
CID 22004113
N-[2-(azepan-1-yl)ethyl]-3-methoxy-4-nitroaniline
CID 63672136
N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine
CID 66280045
4-methoxy-3-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82096092
6-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-nitropyridin-2-amine
CID 115321490

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine?
The IUPAC name of N-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine (CID 133446885) is N-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine.
What is the SMILES notation for N-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine?
The canonical SMILES for N-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine is COc1cc(Nc2cnn(CCN3CCCCC3)c2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine?
The InChIKey is UNOZVTSHVHESEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-26-17-10-15(16(23(24)25)11-18(17)27-2)20-14-12-19-22(13-14)9-8-21-6-4-3-5-7-21/h10-13,20H,3-9H2,1-2H3.
What are the key properties of N-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine?
N-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine has a molecular weight of 375.43 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-nitrophenyl)-1-(2-piperidin-1-ylethyl)pyrazol-4-amine is sourced from PubChem (CID 133446885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).