3-methanimidoyl-N-methyl-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridin-2-amine

C18H20N6 — CID 145228930

IUPAC3-methanimidoyl-N-methyl-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridin-2-amine
SMILES[H]/N=C/c1cc(-c2nn(-c3ccccc3)c(NC)c2C)cnc1NC
InChIInChI=1S/C18H20N6/c1-12-16(14-9-13(10-19)17(20-2)22-11-14)23-24(18(12)21-3)15-7-5-4-6-8-15/h4-11,19,21H,1-3H3,(H,20,22)/b19-10+
InChIKeyBZPRQOQGZLREKD-VXLYETTFSA-N
MW320.40 g/mol
LogP3.32
Rot. Bonds5

About 3-methanimidoyl-N-methyl-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridin-2-amine

3-methanimidoyl-N-methyl-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridin-2-amine (PubChem CID 145228930) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-methanimidoyl-N-methyl-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-methanimidoyl-N-methyl-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridin-2-amine
PubChem CID145228930
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name3-methanimidoyl-N-methyl-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridin-2-amine
SMILES[H]/N=C/c1cc(-c2nn(-c3ccccc3)c(NC)c2C)cnc1NC
InChIInChI=1S/C18H20N6/c1-12-16(14-9-13(10-19)17(20-2)22-11-14)23-24(18(12)21-3)15-7-5-4-6-8-15/h4-11,19,21H,1-3H3,(H,20,22)/b19-10+
InChIKeyBZPRQOQGZLREKD-VXLYETTFSA-N
XLogP3.32
TPSA78.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[5-methanimidoyl-6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]formamide
CID 145228633
3-(2-ethylpyrimidin-5-yl)-N,4-dimethyl-1-phenylpyrazol-5-amine
CID 142337220
N,4-dimethyl-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)-1-phenylpyrazol-5-amine;formaldehyde
CID 145228684
(4R)-N-ethenyl-2-(2-methoxyethyl)-1,2-oxazolidin-4-amine;2-fluoropyridine;2-[[3-methanimidoyl-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 145228870
3-[(dimethylamino)methyl]-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridine-2-carbaldehyde;ethenamine
CID 145228401
formamide;[4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]-2-pyridinyl]methanol
CID 145228703
N-[4-methyl-3-(2-methylpyrimidin-5-yl)-1-phenylpyrazol-5-yl]carbamoyl iodide
CID 126735923
[3-(2-methoxypyrimidin-5-yl)-4-methyl-1-phenylpyrazol-5-yl]urea
CID 139318982
4-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]oxybutanal
CID 145228971
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
acetylene;benzene;N,4-dimethyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-amine;N-[(4R)-1,3-dioxolan-4-yl]formamide;ethane;methoxyethane
CID 145228676
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769

Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-N-methyl-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-methanimidoyl-N-methyl-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridin-2-amine (CID 145228930) is 3-methanimidoyl-N-methyl-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-methanimidoyl-N-methyl-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-methanimidoyl-N-methyl-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridin-2-amine is [H]/N=C/c1cc(-c2nn(-c3ccccc3)c(NC)c2C)cnc1NC.
What is the InChIKey of 3-methanimidoyl-N-methyl-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridin-2-amine?
The InChIKey is BZPRQOQGZLREKD-VXLYETTFSA-N. The full InChI is InChI=1S/C18H20N6/c1-12-16(14-9-13(10-19)17(20-2)22-11-14)23-24(18(12)21-3)15-7-5-4-6-8-15/h4-11,19,21H,1-3H3,(H,20,22)/b19-10+.
What are the key properties of 3-methanimidoyl-N-methyl-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridin-2-amine?
3-methanimidoyl-N-methyl-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridin-2-amine has a molecular weight of 320.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-N-methyl-5-[4-methyl-5-(methylamino)-1-phenylpyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 145228930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).