N'-[3-(dimethylaminomethylideneamino)-1-methyl-4-nitropyrazol-5-yl]-N,N-dimethylmethanimidamide

C10H17N7O2 — CID 12024955

IUPACN'-[3-(dimethylaminomethylideneamino)-1-methyl-4-nitropyrazol-5-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nn(C)c(/N=C/N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H17N7O2/c1-14(2)6-11-9-8(17(18)19)10(16(5)13-9)12-7-15(3)4/h6-7H,1-5H3/b11-6+,12-7+
InChIKeyUYYADEINUVLHJL-GNXRPPCSSA-N
MW267.29 g/mol
LogP0.77
Rot. Bonds5

About N'-[3-(dimethylaminomethylideneamino)-1-methyl-4-nitropyrazol-5-yl]-N,N-dimethylmethanimidamide

N'-[3-(dimethylaminomethylideneamino)-1-methyl-4-nitropyrazol-5-yl]-N,N-dimethylmethanimidamide (PubChem CID 12024955) has the molecular formula C10H17N7O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N'-[3-(dimethylaminomethylideneamino)-1-methyl-4-nitropyrazol-5-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[3-(dimethylaminomethylideneamino)-1-methyl-4-nitropyrazol-5-yl]-N,N-dimethylmethanimidamide
PubChem CID12024955
Molecular FormulaC10H17N7O2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN'-[3-(dimethylaminomethylideneamino)-1-methyl-4-nitropyrazol-5-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nn(C)c(/N=C/N(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H17N7O2/c1-14(2)6-11-9-8(17(18)19)10(16(5)13-9)12-7-15(3)4/h6-7H,1-5H3/b11-6+,12-7+
InChIKeyUYYADEINUVLHJL-GNXRPPCSSA-N
XLogP0.77
TPSA92.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-azido-1,3-dimethyl-4-nitropyrazole
CID 80583648
2-(1,5-dimethyl-4-nitropyrazol-3-yl)-N,N-dimethylethenamine
CID 2805422
1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine
CID 130557665
1,2,6-trimethyl-3,5-dinitropyridin-4-one
CID 125114982
N,N-dimethyl-N'-[9-[2-(4-nitrophenyl)ethyl]-6-oxo-1H-purin-2-yl]methanimidamide
CID 136711696
(4-chlorophenyl)methyl-(1,3-dimethyl-4-nitropyrazol-5-yl)diazene
CID 90913966
3-ethyl-N,N,1-trimethyl-4-nitropyrazol-5-amine
CID 130557668
N,N-dimethyl-N'-[4-(4-nitrophenoxy)-2-pyridinyl]methanimidamide
CID 166539493
N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine
CID 62686664
N,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine
CID 133276802
3-ethyl-1,5-dimethyl-4-nitropyrazole
CID 89037224
1-ethyl-3,5-dimethyl-4-nitropyrazole
CID 3546708

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylaminomethylideneamino)-1-methyl-4-nitropyrazol-5-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[3-(dimethylaminomethylideneamino)-1-methyl-4-nitropyrazol-5-yl]-N,N-dimethylmethanimidamide (CID 12024955) is N'-[3-(dimethylaminomethylideneamino)-1-methyl-4-nitropyrazol-5-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[3-(dimethylaminomethylideneamino)-1-methyl-4-nitropyrazol-5-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[3-(dimethylaminomethylideneamino)-1-methyl-4-nitropyrazol-5-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1nn(C)c(/N=C/N(C)C)c1[N+](=O)[O-].
What is the InChIKey of N'-[3-(dimethylaminomethylideneamino)-1-methyl-4-nitropyrazol-5-yl]-N,N-dimethylmethanimidamide?
The InChIKey is UYYADEINUVLHJL-GNXRPPCSSA-N. The full InChI is InChI=1S/C10H17N7O2/c1-14(2)6-11-9-8(17(18)19)10(16(5)13-9)12-7-15(3)4/h6-7H,1-5H3/b11-6+,12-7+.
What are the key properties of N'-[3-(dimethylaminomethylideneamino)-1-methyl-4-nitropyrazol-5-yl]-N,N-dimethylmethanimidamide?
N'-[3-(dimethylaminomethylideneamino)-1-methyl-4-nitropyrazol-5-yl]-N,N-dimethylmethanimidamide has a molecular weight of 267.29 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylaminomethylideneamino)-1-methyl-4-nitropyrazol-5-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 12024955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).