N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine

C11H21N3O — CID 93104190

IUPACN-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine
SMILESCOC(C)(C)C[C@@H](C)Nc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-9(6-11(2,3)15-5)13-10-7-12-14(4)8-10/h7-9,13H,6H2,1-5H3/t9-/m1/s1
InChIKeySRZDUFTVNPONJY-SECBINFHSA-N
MW211.31 g/mol
LogP2.04
Rot. Bonds5

About N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine

N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine (PubChem CID 93104190) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine
PubChem CID93104190
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine
SMILESCOC(C)(C)C[C@@H](C)Nc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-9(6-11(2,3)15-5)13-10-7-12-14(4)8-10/h7-9,13H,6H2,1-5H3/t9-/m1/s1
InChIKeySRZDUFTVNPONJY-SECBINFHSA-N
XLogP2.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
CID 97338512
1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine
CID 43543286
4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine
CID 61350220
1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride
CID 155858284
N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine
CID 93104217
6-methoxy-N-(4-methoxy-4-methylpentan-2-yl)pyridin-3-amine
CID 43146958
methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate
CID 79778645
4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol
CID 43742567
(3R,4S)-N-(4-methoxy-4-methylpentan-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120935022
4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol
CID 43534909
(2R)-1-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 96705490
2,3-dimethyl-1-[(1-methylpyrazol-4-yl)amino]butan-2-ol
CID 114493356

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine (CID 93104190) is N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine is COC(C)(C)C[C@@H](C)Nc1cnn(C)c1.
What is the InChIKey of N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine?
The InChIKey is SRZDUFTVNPONJY-SECBINFHSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(6-11(2,3)15-5)13-10-7-12-14(4)8-10/h7-9,13H,6H2,1-5H3/t9-/m1/s1.
What are the key properties of N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine?
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine has a molecular weight of 211.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 93104190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).