1-methyl-N-(3-methylpyrrolidin-3-yl)-4-nitropyrazol-3-amine

C9H15N5O2 — CID 107425249

IUPAC1-methyl-N-(3-methylpyrrolidin-3-yl)-4-nitropyrazol-3-amine
SMILESCn1cc([N+](=O)[O-])c(NC2(C)CCNC2)n1
InChIInChI=1S/C9H15N5O2/c1-9(3-4-10-6-9)11-8-7(14(15)16)5-13(2)12-8/h5,10H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyIBJJCVCDNFYMNH-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.49
Rot. Bonds3

About 1-methyl-N-(3-methylpyrrolidin-3-yl)-4-nitropyrazol-3-amine

1-methyl-N-(3-methylpyrrolidin-3-yl)-4-nitropyrazol-3-amine (PubChem CID 107425249) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-methyl-N-(3-methylpyrrolidin-3-yl)-4-nitropyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(3-methylpyrrolidin-3-yl)-4-nitropyrazol-3-amine
PubChem CID107425249
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name1-methyl-N-(3-methylpyrrolidin-3-yl)-4-nitropyrazol-3-amine
SMILESCn1cc([N+](=O)[O-])c(NC2(C)CCNC2)n1
InChIInChI=1S/C9H15N5O2/c1-9(3-4-10-6-9)11-8-7(14(15)16)5-13(2)12-8/h5,10H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyIBJJCVCDNFYMNH-UHFFFAOYSA-N
XLogP0.49
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
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

1-[(1-methyl-4-nitropyrazol-3-yl)amino]cyclohexane-1-carboxylic acid
CID 103079277
3-methyl-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidin-3-amine
CID 107425897
3-methyl-N-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 107425287
1-[[(1-methyl-4-nitropyrazol-3-yl)amino]methyl]cycloheptan-1-ol
CID 103079975
4-[(3-methylpyrrolidin-3-yl)amino]-3-nitrobenzamide
CID 107425889
1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine
CID 103080014
4,5-dimethyl-N-(3-methylpyrrolidin-3-yl)-2-nitrobenzenesulfonamide
CID 107423141
1-methyl-N-(3-methylbutan-2-yl)-4-nitropyrazol-3-amine
CID 103079678
4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine
CID 114697177
6-[(3-methylpyrrolidin-3-yl)amino]-7-nitro-4H-1,4-benzoxazin-3-one
CID 107425269
3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide
CID 107422800
4-methyl-N-(4-methylpiperidin-4-yl)-5-nitropyridin-2-amine
CID 114697022

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylpyrrolidin-3-yl)-4-nitropyrazol-3-amine?
The IUPAC name of 1-methyl-N-(3-methylpyrrolidin-3-yl)-4-nitropyrazol-3-amine (CID 107425249) is 1-methyl-N-(3-methylpyrrolidin-3-yl)-4-nitropyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-(3-methylpyrrolidin-3-yl)-4-nitropyrazol-3-amine?
The canonical SMILES for 1-methyl-N-(3-methylpyrrolidin-3-yl)-4-nitropyrazol-3-amine is Cn1cc([N+](=O)[O-])c(NC2(C)CCNC2)n1.
What is the InChIKey of 1-methyl-N-(3-methylpyrrolidin-3-yl)-4-nitropyrazol-3-amine?
The InChIKey is IBJJCVCDNFYMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-9(3-4-10-6-9)11-8-7(14(15)16)5-13(2)12-8/h5,10H,3-4,6H2,1-2H3,(H,11,12).
What are the key properties of 1-methyl-N-(3-methylpyrrolidin-3-yl)-4-nitropyrazol-3-amine?
1-methyl-N-(3-methylpyrrolidin-3-yl)-4-nitropyrazol-3-amine has a molecular weight of 225.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylpyrrolidin-3-yl)-4-nitropyrazol-3-amine is sourced from PubChem (CID 107425249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).