N-(1-methylpyrazol-4-yl)-4-(7-nitro-1H-indazol-4-yl)pyrimidin-2-amine

C15H12N8O2 — CID 151960932

IUPACN-(1-methylpyrazol-4-yl)-4-(7-nitro-1H-indazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(Nc2nccc(-c3ccc([N+](=O)[O-])c4[nH]ncc34)n2)cn1
InChIInChI=1S/C15H12N8O2/c1-22-8-9(6-18-22)19-15-16-5-4-12(20-15)10-2-3-13(23(24)25)14-11(10)7-17-21-14/h2-8H,1H3,(H,17,21)(H,16,19,20)
InChIKeyTYQHVZKXYYOYNC-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.41
Rot. Bonds4

About N-(1-methylpyrazol-4-yl)-4-(7-nitro-1H-indazol-4-yl)pyrimidin-2-amine

N-(1-methylpyrazol-4-yl)-4-(7-nitro-1H-indazol-4-yl)pyrimidin-2-amine (PubChem CID 151960932) has the molecular formula C15H12N8O2 and a molecular weight of 336.32 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-4-(7-nitro-1H-indazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-4-(7-nitro-1H-indazol-4-yl)pyrimidin-2-amine
PubChem CID151960932
Molecular FormulaC15H12N8O2
Molecular Weight336.32 g/mol
Exact Mass336.11
IUPAC NameN-(1-methylpyrazol-4-yl)-4-(7-nitro-1H-indazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(Nc2nccc(-c3ccc([N+](=O)[O-])c4[nH]ncc34)n2)cn1
InChIInChI=1S/C15H12N8O2/c1-22-8-9(6-18-22)19-15-16-5-4-12(20-15)10-2-3-13(23(24)25)14-11(10)7-17-21-14/h2-8H,1H3,(H,17,21)(H,16,19,20)
InChIKeyTYQHVZKXYYOYNC-UHFFFAOYSA-N
XLogP2.41
TPSA127.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(1-methylpyrazol-4-yl)-4-[(1-methylpyrazol-4-yl)methyl]-5-nitropyrimidin-2-amine
CID 159896045
1-methyl-N-(3-methyl-4-nitrophenyl)pyrazol-4-amine
CID 43543829
4-(4-bromo-1,3-thiazol-2-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 170326720
4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 118209525
1-methyl-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazole-5-carboxylic acid
CID 163218257
1-N-(1-methylpyrazol-4-yl)-4-nitrobenzene-1,3-diamine
CID 106748992
N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636750
2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoic acid
CID 150793941
4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 151424564
N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-propan-2-yloxyphenyl]methyl]azetidine-1-carboxamide
CID 140917821
4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
CID 104609504
5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 144686765

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-4-(7-nitro-1H-indazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(1-methylpyrazol-4-yl)-4-(7-nitro-1H-indazol-4-yl)pyrimidin-2-amine (CID 151960932) is N-(1-methylpyrazol-4-yl)-4-(7-nitro-1H-indazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-4-(7-nitro-1H-indazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-4-(7-nitro-1H-indazol-4-yl)pyrimidin-2-amine is Cn1cc(Nc2nccc(-c3ccc([N+](=O)[O-])c4[nH]ncc34)n2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-4-(7-nitro-1H-indazol-4-yl)pyrimidin-2-amine?
The InChIKey is TYQHVZKXYYOYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N8O2/c1-22-8-9(6-18-22)19-15-16-5-4-12(20-15)10-2-3-13(23(24)25)14-11(10)7-17-21-14/h2-8H,1H3,(H,17,21)(H,16,19,20).
What are the key properties of N-(1-methylpyrazol-4-yl)-4-(7-nitro-1H-indazol-4-yl)pyrimidin-2-amine?
N-(1-methylpyrazol-4-yl)-4-(7-nitro-1H-indazol-4-yl)pyrimidin-2-amine has a molecular weight of 336.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-4-(7-nitro-1H-indazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 151960932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).