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

C9H8N4O2 — CID 28688793

IUPAC4-(4-nitrophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H8N4O2/c10-9-8(5-11-12-9)6-1-3-7(4-2-6)13(14)15/h1-5H,(H3,10,11,12)
InChIKeyDQSHNMWDEQUSHK-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.57
Rot. Bonds2

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

4-(4-nitrophenyl)-1H-pyrazol-5-amine (PubChem CID 28688793) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-(4-nitrophenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(4-nitrophenyl)-1H-pyrazol-5-amine
PubChem CID28688793
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name4-(4-nitrophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H8N4O2/c10-9-8(5-11-12-9)6-1-3-7(4-2-6)13(14)15/h1-5H,(H3,10,11,12)
InChIKeyDQSHNMWDEQUSHK-UHFFFAOYSA-N
XLogP1.57
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.57
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

trimethyl-[2-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]ethynyl]silane
CID 71489515
4-fluoro-5-(4-nitrophenyl)-1H-pyrazole
CID 86052941
4-(4-nitrophenyl)-1,7-dihydropyrazolo[5,4-b]pyridin-6-one
CID 141335946
4-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650164
4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117325187
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
2-(5-amino-1H-pyrazol-4-yl)-5-fluoro-4-nitrophenol
CID 117348385
4-nitroaniline;perchloric acid
CID 86177986
4-bromo-5-(4-nitrophenyl)-1,2-oxazol-3-amine
CID 79555607
N-[4-(4-nitrophenyl)-1H-pyrazol-5-yl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 167919937
2-(4-fluorophenyl)-4-nitroaniline
CID 139699338
5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 59794248

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(4-nitrophenyl)-1H-pyrazol-5-amine (CID 28688793) is 4-(4-nitrophenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(4-nitrophenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(4-nitrophenyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-(4-nitrophenyl)-1H-pyrazol-5-amine?
The InChIKey is DQSHNMWDEQUSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-9-8(5-11-12-9)6-1-3-7(4-2-6)13(14)15/h1-5H,(H3,10,11,12).
What are the key properties of 4-(4-nitrophenyl)-1H-pyrazol-5-amine?
4-(4-nitrophenyl)-1H-pyrazol-5-amine has a molecular weight of 204.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 28688793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).