2-chloro-N-(2,2-dimethylpropyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine

C15H21ClN4 — CID 139300724

IUPAC2-chloro-N-(2,2-dimethylpropyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine
SMILESCc1cc(C)n(-c2cc(NCC(C)(C)C)cc(Cl)n2)n1
InChIInChI=1S/C15H21ClN4/c1-10-6-11(2)20(19-10)14-8-12(7-13(16)18-14)17-9-15(3,4)5/h6-8H,9H2,1-5H3,(H,17,18)
InChIKeyVIFXLLRFBUPFMF-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.00
Rot. Bonds3

About 2-chloro-N-(2,2-dimethylpropyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine

2-chloro-N-(2,2-dimethylpropyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine (PubChem CID 139300724) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylpropyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylpropyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine
PubChem CID139300724
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name2-chloro-N-(2,2-dimethylpropyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine
SMILESCc1cc(C)n(-c2cc(NCC(C)(C)C)cc(Cl)n2)n1
InChIInChI=1S/C15H21ClN4/c1-10-6-11(2)20(19-10)14-8-12(7-13(16)18-14)17-9-15(3,4)5/h6-8H,9H2,1-5H3,(H,17,18)
InChIKeyVIFXLLRFBUPFMF-UHFFFAOYSA-N
XLogP4.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine
CID 139300479
4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 762223
4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidine
CID 169409430
4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 102051125
[3-chloro-5-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]methanol
CID 59570672
2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80965254
4-(chloromethyl)-5-(3,5-dimethylpyrazol-1-yl)-2-propan-2-ylpyrimidine
CID 62087445
2-(2-chlorophenyl)-1-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-2-ol
CID 133472206
N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 25230411
[6-(3,5-dimethylpyrazol-1-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80946745
N-[[6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-4-methylaniline
CID 101492197
N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62292753

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethylpropyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine?
The IUPAC name of 2-chloro-N-(2,2-dimethylpropyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine (CID 139300724) is 2-chloro-N-(2,2-dimethylpropyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylpropyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine?
The canonical SMILES for 2-chloro-N-(2,2-dimethylpropyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine is Cc1cc(C)n(-c2cc(NCC(C)(C)C)cc(Cl)n2)n1.
What is the InChIKey of 2-chloro-N-(2,2-dimethylpropyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine?
The InChIKey is VIFXLLRFBUPFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-10-6-11(2)20(19-10)14-8-12(7-13(16)18-14)17-9-15(3,4)5/h6-8H,9H2,1-5H3,(H,17,18).
What are the key properties of 2-chloro-N-(2,2-dimethylpropyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine?
2-chloro-N-(2,2-dimethylpropyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine has a molecular weight of 292.81 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylpropyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-4-amine is sourced from PubChem (CID 139300724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).