[1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine

C9H15N5O2 — CID 103080353

IUPAC[1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine
SMILESCn1cc([N+](=O)[O-])c(N2CCCC2CN)n1
InChIInChI=1S/C9H15N5O2/c1-12-6-8(14(15)16)9(11-12)13-4-2-3-7(13)5-10/h6-7H,2-5,10H2,1H3
InChIKeyYUZJAWQMEKSVNA-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.26
Rot. Bonds3

About [1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine

[1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine (PubChem CID 103080353) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is [1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine
PubChem CID103080353
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name[1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine
SMILESCn1cc([N+](=O)[O-])c(N2CCCC2CN)n1
InChIInChI=1S/C9H15N5O2/c1-12-6-8(14(15)16)9(11-12)13-4-2-3-7(13)5-10/h6-7H,2-5,10H2,1H3
InChIKeyYUZJAWQMEKSVNA-UHFFFAOYSA-N
XLogP0.26
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.26
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'}

Analyze [1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine 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

[4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine
CID 103442244
ethyl 1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidine-2-carboxylate
CID 103080502
3-(1-methyl-4-nitropyrazol-3-yl)-1,3-oxazolidine-2-carbaldehyde
CID 174813565
[1-(5-nitropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 115313331
2-[4-(1-methyl-4-nitropyrazol-3-yl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 103079385
[1-(5-methyl-4-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 83271828
[1-(4-fluoro-5-methyl-2-nitrophenyl)pyrrolidin-2-yl]methanamine
CID 103594248
[1-(1-methyl-4-nitro-3-propylpyrazol-5-yl)pyrrolidin-2-yl]methanamine
CID 115313260
6-[2-(aminomethyl)piperidin-1-yl]-5-nitropyridine-3-carbonitrile
CID 103472236
[1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-2-yl]methanamine
CID 115313251
[1-(5-chloro-2-nitrophenyl)pyrrolidin-2-yl]methanamine
CID 115471938
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-5-nitropyridine-2-carboxylic acid
CID 114404059

Frequently Asked Questions

What is the IUPAC name of [1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine (CID 103080353) is [1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine is Cn1cc([N+](=O)[O-])c(N2CCCC2CN)n1.
What is the InChIKey of [1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is YUZJAWQMEKSVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-12-6-8(14(15)16)9(11-12)13-4-2-3-7(13)5-10/h6-7H,2-5,10H2,1H3.
What are the key properties of [1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine?
[1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 225.25 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methyl-4-nitropyrazol-3-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 103080353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).