N-tert-butyl-6-(3-methylpyrazol-1-yl)pyridin-2-amine

C13H18N4 — CID 115498576

IUPACN-tert-butyl-6-(3-methylpyrazol-1-yl)pyridin-2-amine
SMILESCc1ccn(-c2cccc(NC(C)(C)C)n2)n1
InChIInChI=1S/C13H18N4/c1-10-8-9-17(16-10)12-7-5-6-11(14-12)15-13(2,3)4/h5-9H,1-4H3,(H,14,15)
InChIKeyHGJRJPRQBPMMHP-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.79
Rot. Bonds2

About N-tert-butyl-6-(3-methylpyrazol-1-yl)pyridin-2-amine

N-tert-butyl-6-(3-methylpyrazol-1-yl)pyridin-2-amine (PubChem CID 115498576) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-tert-butyl-6-(3-methylpyrazol-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(3-methylpyrazol-1-yl)pyridin-2-amine
PubChem CID115498576
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-tert-butyl-6-(3-methylpyrazol-1-yl)pyridin-2-amine
SMILESCc1ccn(-c2cccc(NC(C)(C)C)n2)n1
InChIInChI=1S/C13H18N4/c1-10-8-9-17(16-10)12-7-5-6-11(14-12)15-13(2,3)4/h5-9H,1-4H3,(H,14,15)
InChIKeyHGJRJPRQBPMMHP-UHFFFAOYSA-N
XLogP2.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylpyrazol-1-yl)-6-[2-[3-(3-methylpyrazol-1-yl)phenyl]propan-2-yl]pyridine
CID 157316786
N-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine
CID 115498164
N-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine
CID 113323710
1-(4-tert-butylphenyl)-3-methylpyrazole
CID 155445813
4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 158279519
2-methyl-N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62491577
N-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine
CID 115498157
N-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine
CID 115498426
N-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)pyridin-2-amine
CID 115498350
N-methyl-6-(3-methylpyrazol-1-yl)-2-phenylpyrimidin-4-amine
CID 115915799
2-(3-methylpyrazol-1-yl)-6-[9-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine
CID 58184826
N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine
CID 115498516

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(3-methylpyrazol-1-yl)pyridin-2-amine?
The IUPAC name of N-tert-butyl-6-(3-methylpyrazol-1-yl)pyridin-2-amine (CID 115498576) is N-tert-butyl-6-(3-methylpyrazol-1-yl)pyridin-2-amine.
What is the SMILES notation for N-tert-butyl-6-(3-methylpyrazol-1-yl)pyridin-2-amine?
The canonical SMILES for N-tert-butyl-6-(3-methylpyrazol-1-yl)pyridin-2-amine is Cc1ccn(-c2cccc(NC(C)(C)C)n2)n1.
What is the InChIKey of N-tert-butyl-6-(3-methylpyrazol-1-yl)pyridin-2-amine?
The InChIKey is HGJRJPRQBPMMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-8-9-17(16-10)12-7-5-6-11(14-12)15-13(2,3)4/h5-9H,1-4H3,(H,14,15).
What are the key properties of N-tert-butyl-6-(3-methylpyrazol-1-yl)pyridin-2-amine?
N-tert-butyl-6-(3-methylpyrazol-1-yl)pyridin-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(3-methylpyrazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 115498576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).