N,1-dimethyl-N-[(2-nitrophenyl)methyl]pyrazol-4-amine

C12H14N4O2 — CID 122144233

IUPACN,1-dimethyl-N-[(2-nitrophenyl)methyl]pyrazol-4-amine
SMILESCN(Cc1ccccc1[N+](=O)[O-])c1cnn(C)c1
InChIInChI=1S/C12H14N4O2/c1-14(11-7-13-15(2)9-11)8-10-5-3-4-6-12(10)16(17)18/h3-7,9H,8H2,1-2H3
InChIKeySRVJIXWDUZKYQD-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.96
Rot. Bonds4

About N,1-dimethyl-N-[(2-nitrophenyl)methyl]pyrazol-4-amine

N,1-dimethyl-N-[(2-nitrophenyl)methyl]pyrazol-4-amine (PubChem CID 122144233) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N,1-dimethyl-N-[(2-nitrophenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[(2-nitrophenyl)methyl]pyrazol-4-amine
PubChem CID122144233
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN,1-dimethyl-N-[(2-nitrophenyl)methyl]pyrazol-4-amine
SMILESCN(Cc1ccccc1[N+](=O)[O-])c1cnn(C)c1
InChIInChI=1S/C12H14N4O2/c1-14(11-7-13-15(2)9-11)8-10-5-3-4-6-12(10)16(17)18/h3-7,9H,8H2,1-2H3
InChIKeySRVJIXWDUZKYQD-UHFFFAOYSA-N
XLogP1.96
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
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

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitroaniline
CID 31921150
N-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-1-(2-nitrophenyl)methanesulfonamide
CID 97306348
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitroaniline
CID 133276475
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 31921413
N-methyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]-6-nitroaniline
CID 107351141
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-nitroaniline
CID 31921129
2-[methyl-[(2-nitrophenyl)methyl]amino]benzonitrile
CID 112727031
N'-methyl-N'-[(2-nitrophenyl)methyl]ethane-1,2-diamine
CID 62682395
N,4-diethyl-N-(1-methylpyrazol-4-yl)-3-nitrobenzamide
CID 146093218
5-chloro-4-[methyl-[(2-nitrophenyl)methyl]amino]-1H-pyridazin-6-one
CID 32802360
N,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine
CID 100703434
(E)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 31843222

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(2-nitrophenyl)methyl]pyrazol-4-amine?
The IUPAC name of N,1-dimethyl-N-[(2-nitrophenyl)methyl]pyrazol-4-amine (CID 122144233) is N,1-dimethyl-N-[(2-nitrophenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[(2-nitrophenyl)methyl]pyrazol-4-amine?
The canonical SMILES for N,1-dimethyl-N-[(2-nitrophenyl)methyl]pyrazol-4-amine is CN(Cc1ccccc1[N+](=O)[O-])c1cnn(C)c1.
What is the InChIKey of N,1-dimethyl-N-[(2-nitrophenyl)methyl]pyrazol-4-amine?
The InChIKey is SRVJIXWDUZKYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-14(11-7-13-15(2)9-11)8-10-5-3-4-6-12(10)16(17)18/h3-7,9H,8H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[(2-nitrophenyl)methyl]pyrazol-4-amine?
N,1-dimethyl-N-[(2-nitrophenyl)methyl]pyrazol-4-amine has a molecular weight of 246.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(2-nitrophenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 122144233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).