1-methyl-4-nitro-N,3-dipropyl-N-pyrrolidin-3-ylpyrazol-5-amine

C14H25N5O2 — CID 66018288

IUPAC1-methyl-4-nitro-N,3-dipropyl-N-pyrrolidin-3-ylpyrazol-5-amine
SMILESCCCc1nn(C)c(N(CCC)C2CCNC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O2/c1-4-6-12-13(19(20)21)14(17(3)16-12)18(9-5-2)11-7-8-15-10-11/h11,15H,4-10H2,1-3H3
InChIKeyPZMZYKRSJPICOB-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.86
Rot. Bonds7

About 1-methyl-4-nitro-N,3-dipropyl-N-pyrrolidin-3-ylpyrazol-5-amine

1-methyl-4-nitro-N,3-dipropyl-N-pyrrolidin-3-ylpyrazol-5-amine (PubChem CID 66018288) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-methyl-4-nitro-N,3-dipropyl-N-pyrrolidin-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-nitro-N,3-dipropyl-N-pyrrolidin-3-ylpyrazol-5-amine
PubChem CID66018288
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-methyl-4-nitro-N,3-dipropyl-N-pyrrolidin-3-ylpyrazol-5-amine
SMILESCCCc1nn(C)c(N(CCC)C2CCNC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H25N5O2/c1-4-6-12-13(19(20)21)14(17(3)16-12)18(9-5-2)11-7-8-15-10-11/h11,15H,4-10H2,1-3H3
InChIKeyPZMZYKRSJPICOB-UHFFFAOYSA-N
XLogP1.86
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol
CID 66017329
N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine
CID 66182633
4-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79117680
4-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)oxymethyl]piperidine
CID 66017346
3-[cyclobutyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]propan-1-ol
CID 102868690
4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 79175870
6-methyl-3-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 81135778
4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304533
2-[carboxymethyl-(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]acetic acid
CID 66014095
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119826337
N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine
CID 133423374
3-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)-propan-2-ylamino]propanenitrile
CID 66016667

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-N,3-dipropyl-N-pyrrolidin-3-ylpyrazol-5-amine?
The IUPAC name of 1-methyl-4-nitro-N,3-dipropyl-N-pyrrolidin-3-ylpyrazol-5-amine (CID 66018288) is 1-methyl-4-nitro-N,3-dipropyl-N-pyrrolidin-3-ylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-nitro-N,3-dipropyl-N-pyrrolidin-3-ylpyrazol-5-amine?
The canonical SMILES for 1-methyl-4-nitro-N,3-dipropyl-N-pyrrolidin-3-ylpyrazol-5-amine is CCCc1nn(C)c(N(CCC)C2CCNC2)c1[N+](=O)[O-].
What is the InChIKey of 1-methyl-4-nitro-N,3-dipropyl-N-pyrrolidin-3-ylpyrazol-5-amine?
The InChIKey is PZMZYKRSJPICOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-4-6-12-13(19(20)21)14(17(3)16-12)18(9-5-2)11-7-8-15-10-11/h11,15H,4-10H2,1-3H3.
What are the key properties of 1-methyl-4-nitro-N,3-dipropyl-N-pyrrolidin-3-ylpyrazol-5-amine?
1-methyl-4-nitro-N,3-dipropyl-N-pyrrolidin-3-ylpyrazol-5-amine has a molecular weight of 295.39 g/mol, XLogP of 1.86, 7 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-dipropyl-N-pyrrolidin-3-ylpyrazol-5-amine is sourced from PubChem (CID 66018288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).