5-methyl-4-nitro-N-prop-2-enyl-1H-pyrazol-3-amine

C7H10N4O2 — CID 3104739

IUPAC5-methyl-4-nitro-N-prop-2-enyl-1H-pyrazol-3-amine
SMILESC=CCNc1n[nH]c(C)c1[N+](=O)[O-]
InChIInChI=1S/C7H10N4O2/c1-3-4-8-7-6(11(12)13)5(2)9-10-7/h3H,1,4H2,2H3,(H2,8,9,10)
InChIKeyGGMCNUOABIKFRW-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.22
Rot. Bonds4

About 5-methyl-4-nitro-N-prop-2-enyl-1H-pyrazol-3-amine

5-methyl-4-nitro-N-prop-2-enyl-1H-pyrazol-3-amine (PubChem CID 3104739) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-methyl-4-nitro-N-prop-2-enyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-4-nitro-N-prop-2-enyl-1H-pyrazol-3-amine
PubChem CID3104739
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name5-methyl-4-nitro-N-prop-2-enyl-1H-pyrazol-3-amine
SMILESC=CCNc1n[nH]c(C)c1[N+](=O)[O-]
InChIInChI=1S/C7H10N4O2/c1-3-4-8-7-6(11(12)13)5(2)9-10-7/h3H,1,4H2,2H3,(H2,8,9,10)
InChIKeyGGMCNUOABIKFRW-UHFFFAOYSA-N
XLogP1.22
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

ethyl 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)amino]acetate
CID 14847074
3-N,3-N-dimethyl-4-nitro-5-N-prop-2-enyl-1H-pyrazole-3,5-diamine
CID 12708078
6-N-butyl-5-nitro-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 23486666
3-chloro-5-methyl-4-nitro-1H-pyrazole
CID 23256
N-(3,4-dimethylphenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
CID 3104735
6-chloro-2-(2-methylpropyl)-5-nitro-N-prop-2-enylpyrimidin-4-amine
CID 82459135
N-(3,4-dichlorophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine
CID 3104737
6-(4-ethylpiperazin-1-yl)-5-nitro-N-prop-2-enylpyrimidin-4-amine
CID 23487875
2-ethyl-5-nitro-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82454936
N-[4-[[5-nitro-6-(prop-2-enylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 23488015
4-N-(2-methoxy-5-methylphenyl)-5-nitro-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 23480317
N-tert-butyl-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 15126158

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-N-prop-2-enyl-1H-pyrazol-3-amine?
The IUPAC name of 5-methyl-4-nitro-N-prop-2-enyl-1H-pyrazol-3-amine (CID 3104739) is 5-methyl-4-nitro-N-prop-2-enyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-methyl-4-nitro-N-prop-2-enyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-methyl-4-nitro-N-prop-2-enyl-1H-pyrazol-3-amine is C=CCNc1n[nH]c(C)c1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-N-prop-2-enyl-1H-pyrazol-3-amine?
The InChIKey is GGMCNUOABIKFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-3-4-8-7-6(11(12)13)5(2)9-10-7/h3H,1,4H2,2H3,(H2,8,9,10).
What are the key properties of 5-methyl-4-nitro-N-prop-2-enyl-1H-pyrazol-3-amine?
5-methyl-4-nitro-N-prop-2-enyl-1H-pyrazol-3-amine has a molecular weight of 182.18 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-N-prop-2-enyl-1H-pyrazol-3-amine is sourced from PubChem (CID 3104739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).