N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine

C10H19N5O2 — CID 66028978

IUPACN-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1NCCNC
InChIInChI=1S/C10H19N5O2/c1-4-7-14-10(12-6-5-11-3)9(15(16)17)8(2)13-14/h11-12H,4-7H2,1-3H3
InChIKeyNOUWXFQXHAKWCT-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.14
Rot. Bonds7

About N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine

N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine (PubChem CID 66028978) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine
PubChem CID66028978
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC NameN-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1NCCNC
InChIInChI=1S/C10H19N5O2/c1-4-7-14-10(12-6-5-11-3)9(15(16)17)8(2)13-14/h11-12H,4-7H2,1-3H3
InChIKeyNOUWXFQXHAKWCT-UHFFFAOYSA-N
XLogP1.14
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
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-butyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013299
3-methyl-4-nitro-1-propyl-N-(2-pyrrolidin-1-ylethyl)pyrazol-5-amine
CID 66027801
N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66029159
3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine
CID 66013105
N-ethyl-2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]ethanesulfonamide
CID 106338169
3-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-nitro-1-propylpyrazol-5-amine
CID 66027804
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-nitro-1-propylpyrazol-5-amine
CID 102914171
N-benzyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013296
N,2,2-trimethyl-3-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propanamide
CID 106278417
3-methyl-4-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-propylpyrazol-5-amine
CID 106404584
N-ethyl-N'-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethane-1,2-diamine
CID 66013610
N-(2-ethylhexyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 107816609

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine (CID 66028978) is N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine is CCCn1nc(C)c([N+](=O)[O-])c1NCCNC.
What is the InChIKey of N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine?
The InChIKey is NOUWXFQXHAKWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-4-7-14-10(12-6-5-11-3)9(15(16)17)8(2)13-14/h11-12H,4-7H2,1-3H3.
What are the key properties of N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine?
N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine has a molecular weight of 241.29 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 66028978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).