1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine

C10H18N4O3 — CID 103080049

IUPAC1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine
SMILESCCCOCCCNc1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H18N4O3/c1-3-6-17-7-4-5-11-10-9(14(15)16)8-13(2)12-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyQHFWNGIUSVSNRW-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.56
Rot. Bonds8

About 1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine

1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine (PubChem CID 103080049) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine
PubChem CID103080049
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine
SMILESCCCOCCCNc1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H18N4O3/c1-3-6-17-7-4-5-11-10-9(14(15)16)8-13(2)12-10/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyQHFWNGIUSVSNRW-UHFFFAOYSA-N
XLogP1.56
TPSA82.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-ethyl-N'-(1-methyl-4-nitropyrazol-3-yl)propane-1,3-diamine
CID 103080213
1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine
CID 103080272
2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide
CID 106239305
5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol
CID 107318026
N-(3-ethoxypropyl)-4-nitro-1-propan-2-ylpyrazol-3-amine
CID 90480987
4-[(1-methyl-4-nitropyrazol-3-yl)amino]butanamide
CID 103079719
3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82946841
1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-3-amine
CID 103079933
1-methyl-N-(3-methylbutyl)-4-nitropyrazol-3-amine
CID 103079653
6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82947445
N-(2,2-dimethoxyethyl)-1-methyl-4-nitropyrazol-3-amine
CID 107390111
1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine
CID 103079679

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine?
The IUPAC name of 1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine (CID 103080049) is 1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine is CCCOCCCNc1nn(C)cc1[N+](=O)[O-].
What is the InChIKey of 1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine?
The InChIKey is QHFWNGIUSVSNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-3-6-17-7-4-5-11-10-9(14(15)16)8-13(2)12-10/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine?
1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine has a molecular weight of 242.28 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine is sourced from PubChem (CID 103080049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).