N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine

C16H22F2N4O — CID 133477434

IUPACN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine
SMILESCc1nn(C(C)(C)C)cc1C(C)Nc1ccc(OC(F)F)cn1
InChIInChI=1S/C16H22F2N4O/c1-10(13-9-22(16(3,4)5)21-11(13)2)20-14-7-6-12(8-19-14)23-15(17)18/h6-10,15H,1-5H3,(H,19,20)
InChIKeyHPAIDFLPVTXEKR-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.12
Rot. Bonds5

About N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine

N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine (PubChem CID 133477434) has the molecular formula C16H22F2N4O and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine
PubChem CID133477434
Molecular FormulaC16H22F2N4O
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine
SMILESCc1nn(C(C)(C)C)cc1C(C)Nc1ccc(OC(F)F)cn1
InChIInChI=1S/C16H22F2N4O/c1-10(13-9-22(16(3,4)5)21-11(13)2)20-14-7-6-12(8-19-14)23-15(17)18/h6-10,15H,1-5H3,(H,19,20)
InChIKeyHPAIDFLPVTXEKR-UHFFFAOYSA-N
XLogP4.12
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine
CID 133477273
6-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-ethylpyridine-3-carboxamide
CID 133477615
6-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-propylpyridine-3-carboxamide
CID 133477603
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133477552
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-amine
CID 133477637
5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 154736177
ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate
CID 122150645
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-fluoro-1,3-benzoxazol-2-amine
CID 133477464
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-2,4-bis(methylsulfonyl)aniline
CID 133477638
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 133477470
2-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-nitropyrimidine-2,4-diamine
CID 133477506
3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide
CID 99777362

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine?
The IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine (CID 133477434) is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine.
What is the SMILES notation for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine?
The canonical SMILES for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine is Cc1nn(C(C)(C)C)cc1C(C)Nc1ccc(OC(F)F)cn1.
What is the InChIKey of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine?
The InChIKey is HPAIDFLPVTXEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O/c1-10(13-9-22(16(3,4)5)21-11(13)2)20-14-7-6-12(8-19-14)23-15(17)18/h6-10,15H,1-5H3,(H,19,20).
What are the key properties of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine?
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine has a molecular weight of 324.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 133477434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).