1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine

C13H16N4O2 — CID 43543267

IUPAC1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine
SMILESCCn1cc(NC(C)c2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C13H16N4O2/c1-3-16-9-12(8-14-16)15-10(2)11-4-6-13(7-5-11)17(18)19/h4-10,15H,3H2,1-2H3
InChIKeyPJDCRDQOJZQPSM-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.98
Rot. Bonds5

About 1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine

1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine (PubChem CID 43543267) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine
PubChem CID43543267
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine
SMILESCCn1cc(NC(C)c2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C13H16N4O2/c1-3-16-9-12(8-14-16)15-10(2)11-4-6-13(7-5-11)17(18)19/h4-10,15H,3H2,1-2H3
InChIKeyPJDCRDQOJZQPSM-UHFFFAOYSA-N
XLogP2.98
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile
CID 43543489
1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine
CID 43543284
N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine
CID 43543382
1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one
CID 60943542
N-[(1-ethylpyrazol-4-yl)methyl]-4-nitroaniline
CID 103569272
1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine
CID 43543392
1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine
CID 81472831
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline
CID 30226768
4-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 43396000
3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 43776942
N-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine
CID 104917216
N-(2,6-difluoro-4-nitrophenyl)-1-ethylpyrazol-4-amine
CID 103828470

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine (CID 43543267) is 1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine is CCn1cc(NC(C)c2ccc([N+](=O)[O-])cc2)cn1.
What is the InChIKey of 1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine?
The InChIKey is PJDCRDQOJZQPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-16-9-12(8-14-16)15-10(2)11-4-6-13(7-5-11)17(18)19/h4-10,15H,3H2,1-2H3.
What are the key properties of 1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine?
1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine has a molecular weight of 260.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 43543267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).