N-methyl-N-(4-nitrophenyl)-1H-pyrazol-5-amine

C10H10N4O2 — CID 144959186

IUPACN-methyl-N-(4-nitrophenyl)-1H-pyrazol-5-amine
SMILESCN(c1ccc([N+](=O)[O-])cc1)c1ccn[nH]1
InChIInChI=1S/C10H10N4O2/c1-13(10-6-7-11-12-10)8-2-4-9(5-3-8)14(15)16/h2-7H,1H3,(H,11,12)
InChIKeyZFFPRMMEXHJQEG-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.09
Rot. Bonds3

About N-methyl-N-(4-nitrophenyl)-1H-pyrazol-5-amine

N-methyl-N-(4-nitrophenyl)-1H-pyrazol-5-amine (PubChem CID 144959186) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N-methyl-N-(4-nitrophenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-methyl-N-(4-nitrophenyl)-1H-pyrazol-5-amine
PubChem CID144959186
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC NameN-methyl-N-(4-nitrophenyl)-1H-pyrazol-5-amine
SMILESCN(c1ccc([N+](=O)[O-])cc1)c1ccn[nH]1
InChIInChI=1S/C10H10N4O2/c1-13(10-6-7-11-12-10)8-2-4-9(5-3-8)14(15)16/h2-7H,1H3,(H,11,12)
InChIKeyZFFPRMMEXHJQEG-UHFFFAOYSA-N
XLogP2.09
TPSA75.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-4-nitro-N-phenylaniline
CID 11287619
N-(4-bromophenyl)-N-methyl-4-nitroaniline
CID 134433384
N-methyl-N-(4-nitrophenyl)-1H-benzimidazol-2-amine
CID 58577716
N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine
CID 11150552
N,N-dimethyl-4-[5-(4-nitrophenyl)-1H-pyrazol-3-yl]aniline
CID 3809870
N-tert-butyl-N-chloro-4-nitroaniline
CID 134996236
iodo-(N-methyl-4-nitroanilino)azanide
CID 163783585
2-(2-aminoethyl)-N-methyl-N-(4-nitrophenyl)pyrimidin-5-amine
CID 135155004
4-nitropyridine;hydrate
CID 132647818
methyl N-(4-nitrophenyl)-N-pyridin-4-ylcarbamate
CID 174754917
N,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 43348964
N-methyl-4-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64518617

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-nitrophenyl)-1H-pyrazol-5-amine?
The IUPAC name of N-methyl-N-(4-nitrophenyl)-1H-pyrazol-5-amine (CID 144959186) is N-methyl-N-(4-nitrophenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-methyl-N-(4-nitrophenyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-methyl-N-(4-nitrophenyl)-1H-pyrazol-5-amine is CN(c1ccc([N+](=O)[O-])cc1)c1ccn[nH]1.
What is the InChIKey of N-methyl-N-(4-nitrophenyl)-1H-pyrazol-5-amine?
The InChIKey is ZFFPRMMEXHJQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-13(10-6-7-11-12-10)8-2-4-9(5-3-8)14(15)16/h2-7H,1H3,(H,11,12).
What are the key properties of N-methyl-N-(4-nitrophenyl)-1H-pyrazol-5-amine?
N-methyl-N-(4-nitrophenyl)-1H-pyrazol-5-amine has a molecular weight of 218.22 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-nitrophenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 144959186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).