6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-amine

C14H17N5O2 — CID 80840944

IUPAC6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-amine
SMILESCCCNc1ccc([N+](=O)[O-])c(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C14H17N5O2/c1-2-8-15-13-6-5-12(19(20)21)14(16-13)18-9-7-11(17-18)10-3-4-10/h5-7,9-10H,2-4,8H2,1H3,(H,15,16)
InChIKeyIYYJAKOAWMOGEJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.87
Rot. Bonds6

About 6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-amine

6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-amine (PubChem CID 80840944) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-amine
PubChem CID80840944
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-amine
SMILESCCCNc1ccc([N+](=O)[O-])c(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C14H17N5O2/c1-2-8-15-13-6-5-12(19(20)21)14(16-13)18-9-7-11(17-18)10-3-4-10/h5-7,9-10H,2-4,8H2,1H3,(H,15,16)
InChIKeyIYYJAKOAWMOGEJ-UHFFFAOYSA-N
XLogP2.87
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.87
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 6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-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

6-(4-ethylpiperidin-1-yl)-5-nitro-N-propylpyridin-2-amine
CID 80778654
4-(3-cyclopropylpyrazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80857494
5-nitro-6-(1,4-oxazepan-4-yl)-N-propylpyridin-2-amine
CID 80823287
2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771612
6-(4-methylcyclohexyl)oxy-5-nitro-N-propylpyridin-2-amine
CID 80844603
2-N-(1-methylpyrazol-3-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80849234
1-[5-(3-cyclopropylpyrazol-1-yl)-2-nitrophenyl]ethanone
CID 104613728
6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine
CID 102741257
6-butyl-5-nitro-N-propylpyridin-2-amine
CID 106659336
1-[6-(ethylamino)-3-nitro-2-pyridinyl]pyrrolidin-3-ol
CID 80823438
N-methyl-5-nitro-6-(3-propan-2-ylpyrazol-1-yl)pyridin-2-amine
CID 80857066
2-N-ethyl-3-nitro-2-N-propan-2-yl-6-N-propylpyridine-2,6-diamine
CID 80775846

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-amine?
The IUPAC name of 6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-amine (CID 80840944) is 6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-amine?
The canonical SMILES for 6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-amine is CCCNc1ccc([N+](=O)[O-])c(-n2ccc(C3CC3)n2)n1.
What is the InChIKey of 6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-amine?
The InChIKey is IYYJAKOAWMOGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-2-8-15-13-6-5-12(19(20)21)14(16-13)18-9-7-11(17-18)10-3-4-10/h5-7,9-10H,2-4,8H2,1H3,(H,15,16).
What are the key properties of 6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-amine?
6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-amine has a molecular weight of 287.32 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopropylpyrazol-1-yl)-5-nitro-N-propylpyridin-2-amine is sourced from PubChem (CID 80840944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).