6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine

C11H12ClN5O2 — CID 113345983

IUPAC6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cn1cccn1)Nc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C11H12ClN5O2/c1-8(7-16-4-2-3-13-16)14-11-6-9(17(18)19)5-10(12)15-11/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyCQDMWTZGZDQGAD-UHFFFAOYSA-N
MW281.70 g/mol
LogP2.34
Rot. Bonds5

About 6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine

6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine (PubChem CID 113345983) has the molecular formula C11H12ClN5O2 and a molecular weight of 281.70 g/mol. Its IUPAC name is 6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
PubChem CID113345983
Molecular FormulaC11H12ClN5O2
Molecular Weight281.70 g/mol
Exact Mass281.07
IUPAC Name6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cn1cccn1)Nc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C11H12ClN5O2/c1-8(7-16-4-2-3-13-16)14-11-6-9(17(18)19)5-10(12)15-11/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyCQDMWTZGZDQGAD-UHFFFAOYSA-N
XLogP2.34
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-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-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 103888459
4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103888945
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine
CID 103888310
6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 103888375
3-chloro-2-nitro-N-(1-pyrazol-1-ylpropan-2-yl)aniline
CID 104835805
5-nitro-2-(1-pyrazol-1-ylpropan-2-ylamino)benzoic acid
CID 61461042
5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide
CID 94178450
6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine
CID 103911595
3,5,6-trichloro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750617
2-ethyl-6-N-methyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80934571
6-hydrazinyl-5-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80895976
4-chloro-3-nitro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61041075

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine (CID 113345983) is 6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine is CC(Cn1cccn1)Nc1cc([N+](=O)[O-])cc(Cl)n1.
What is the InChIKey of 6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is CQDMWTZGZDQGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2/c1-8(7-16-4-2-3-13-16)14-11-6-9(17(18)19)5-10(12)15-11/h2-6,8H,7H2,1H3,(H,14,15).
What are the key properties of 6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine?
6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine has a molecular weight of 281.70 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 113345983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).