3-methyl-4-nitro-1-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazol-5-amine

C10H16N8O2 — CID 66027025

IUPAC3-methyl-4-nitro-1-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazol-5-amine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1NC(C)c1nn[nH]n1
InChIInChI=1S/C10H16N8O2/c1-4-5-17-10(8(18(19)20)6(2)14-17)11-7(3)9-12-15-16-13-9/h7,11H,4-5H2,1-3H3,(H,12,13,15,16)
InChIKeyUTSZHMDVBSPKON-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.20
Rot. Bonds6

About 3-methyl-4-nitro-1-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazol-5-amine

3-methyl-4-nitro-1-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazol-5-amine (PubChem CID 66027025) has the molecular formula C10H16N8O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-methyl-4-nitro-1-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-nitro-1-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazol-5-amine
PubChem CID66027025
Molecular FormulaC10H16N8O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name3-methyl-4-nitro-1-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazol-5-amine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1NC(C)c1nn[nH]n1
InChIInChI=1S/C10H16N8O2/c1-4-5-17-10(8(18(19)20)6(2)14-17)11-7(3)9-12-15-16-13-9/h7,11H,4-5H2,1-3H3,(H,12,13,15,16)
InChIKeyUTSZHMDVBSPKON-UHFFFAOYSA-N
XLogP1.20
TPSA127.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
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'}

Analyze 3-methyl-4-nitro-1-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-propyl-5-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-4,5-diamine
CID 66028999
3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine
CID 66013105
4-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]pentanoic acid
CID 66012323
N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66029159
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-nitro-1-propylpyrazol-5-amine
CID 102914171
N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine
CID 66028978
N-butyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013299
2-N-(3-methyl-4-nitro-1-propylpyrazol-5-yl)hexane-1,2-diamine
CID 80704442
3-methoxy-2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]propan-1-ol
CID 106186471
2-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]-3-methylbutanoic acid
CID 66011790
N-benzyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013296
4-methoxy-2-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]butanoic acid
CID 66012309

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-1-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazol-5-amine?
The IUPAC name of 3-methyl-4-nitro-1-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazol-5-amine (CID 66027025) is 3-methyl-4-nitro-1-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazol-5-amine.
What is the SMILES notation for 3-methyl-4-nitro-1-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazol-5-amine?
The canonical SMILES for 3-methyl-4-nitro-1-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazol-5-amine is CCCn1nc(C)c([N+](=O)[O-])c1NC(C)c1nn[nH]n1.
What is the InChIKey of 3-methyl-4-nitro-1-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazol-5-amine?
The InChIKey is UTSZHMDVBSPKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N8O2/c1-4-5-17-10(8(18(19)20)6(2)14-17)11-7(3)9-12-15-16-13-9/h7,11H,4-5H2,1-3H3,(H,12,13,15,16).
What are the key properties of 3-methyl-4-nitro-1-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazol-5-amine?
3-methyl-4-nitro-1-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazol-5-amine has a molecular weight of 280.29 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitro-1-propyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazol-5-amine is sourced from PubChem (CID 66027025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).