[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methanamine

C10H10N4O2 — CID 79487590

IUPAC[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methanamine
SMILESNCc1cn[nH]c1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O2/c11-5-7-6-12-13-10(7)8-3-1-2-4-9(8)14(15)16/h1-4,6H,5,11H2,(H,12,13)
InChIKeyDXANJBVAMPNBQT-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.44
Rot. Bonds3

About [5-(2-nitrophenyl)-1H-pyrazol-4-yl]methanamine

[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 79487590) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is [5-(2-nitrophenyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methanamine
PubChem CID79487590
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methanamine
SMILESNCc1cn[nH]c1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O2/c11-5-7-6-12-13-10(7)8-3-1-2-4-9(8)14(15)16/h1-4,6H,5,11H2,(H,12,13)
InChIKeyDXANJBVAMPNBQT-UHFFFAOYSA-N
XLogP1.44
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
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-[[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79484990
2-methoxy-N-[[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 79484853
[5-(furan-2-yl)-1H-pyrazol-4-yl]methanamine
CID 79487509
[5-(2-nitrophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324782
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-(2-nitrophenyl)methanesulfonamide
CID 79529527
3,6-bis(2-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 134109320
[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79488160
[5-(2-nitrophenyl)furan-2-yl]methanamine
CID 82114007
2-nitro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43785499
(2-nitrophenyl)methoxymethanamine
CID 175012109
[2-(2-nitrophenyl)-1H-imidazol-5-yl]methanol
CID 63108243
N-[[2-(aminomethyl)phenyl]methyl]-2-nitroaniline
CID 62950463

Frequently Asked Questions

What is the IUPAC name of [5-(2-nitrophenyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of [5-(2-nitrophenyl)-1H-pyrazol-4-yl]methanamine (CID 79487590) is [5-(2-nitrophenyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-nitrophenyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for [5-(2-nitrophenyl)-1H-pyrazol-4-yl]methanamine is NCc1cn[nH]c1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of [5-(2-nitrophenyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is DXANJBVAMPNBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-5-7-6-12-13-10(7)8-3-1-2-4-9(8)14(15)16/h1-4,6H,5,11H2,(H,12,13).
What are the key properties of [5-(2-nitrophenyl)-1H-pyrazol-4-yl]methanamine?
[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 218.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-nitrophenyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 79487590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).