2,3-dimethyl-5-nitro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]imidazol-4-amine

C14H15N7O2 — CID 47081019

IUPAC2,3-dimethyl-5-nitro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]imidazol-4-amine
SMILESCc1nc([N+](=O)[O-])c(NCc2ccc(-n3cccn3)nc2)n1C
InChIInChI=1S/C14H15N7O2/c1-10-18-14(21(22)23)13(19(10)2)16-9-11-4-5-12(15-8-11)20-7-3-6-17-20/h3-8,16H,9H2,1-2H3
InChIKeyNXUMPCSTEOZQBV-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.83
Rot. Bonds5

About 2,3-dimethyl-5-nitro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]imidazol-4-amine

2,3-dimethyl-5-nitro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]imidazol-4-amine (PubChem CID 47081019) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2,3-dimethyl-5-nitro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]imidazol-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-5-nitro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]imidazol-4-amine
PubChem CID47081019
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name2,3-dimethyl-5-nitro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]imidazol-4-amine
SMILESCc1nc([N+](=O)[O-])c(NCc2ccc(-n3cccn3)nc2)n1C
InChIInChI=1S/C14H15N7O2/c1-10-18-14(21(22)23)13(19(10)2)16-9-11-4-5-12(15-8-11)20-7-3-6-17-20/h3-8,16H,9H2,1-2H3
InChIKeyNXUMPCSTEOZQBV-UHFFFAOYSA-N
XLogP1.83
TPSA103.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
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-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 25480347
2,3-dimethyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-5-nitroimidazol-4-amine
CID 103883744
2,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5-nitroimidazol-4-amine
CID 104695952
2,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-nitroimidazol-4-amine
CID 103554789
2,3-dimethyl-5-nitro-N-pyrrol-1-ylimidazol-4-amine
CID 103746170
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
N-[(4-fluorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704289
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
CID 86808570
(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349454
(2R)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349453
2-[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]acetate
CID 7200415
5-(methylsulfanylmethyl)-2-pyrazol-1-ylpyridine
CID 148997787

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-nitro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]imidazol-4-amine?
The IUPAC name of 2,3-dimethyl-5-nitro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]imidazol-4-amine (CID 47081019) is 2,3-dimethyl-5-nitro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]imidazol-4-amine.
What is the SMILES notation for 2,3-dimethyl-5-nitro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]imidazol-4-amine?
The canonical SMILES for 2,3-dimethyl-5-nitro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]imidazol-4-amine is Cc1nc([N+](=O)[O-])c(NCc2ccc(-n3cccn3)nc2)n1C.
What is the InChIKey of 2,3-dimethyl-5-nitro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]imidazol-4-amine?
The InChIKey is NXUMPCSTEOZQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2/c1-10-18-14(21(22)23)13(19(10)2)16-9-11-4-5-12(15-8-11)20-7-3-6-17-20/h3-8,16H,9H2,1-2H3.
What are the key properties of 2,3-dimethyl-5-nitro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]imidazol-4-amine?
2,3-dimethyl-5-nitro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]imidazol-4-amine has a molecular weight of 313.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-nitro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]imidazol-4-amine is sourced from PubChem (CID 47081019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).