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

C13H25N3O — CID 97338512

IUPACN-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
SMILESCCCn1cc(N[C@H](C)CC(C)(C)OC)cn1
InChIInChI=1S/C13H25N3O/c1-6-7-16-10-12(9-14-16)15-11(2)8-13(3,4)17-5/h9-11,15H,6-8H2,1-5H3/t11-/m1/s1
InChIKeyNFJVURWEJFLRRY-LLVKDONJSA-N
MW239.36 g/mol
LogP2.91
Rot. Bonds7

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

N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine (PubChem CID 97338512) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
PubChem CID97338512
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
SMILESCCCn1cc(N[C@H](C)CC(C)(C)OC)cn1
InChIInChI=1S/C13H25N3O/c1-6-7-16-10-12(9-14-16)15-11(2)8-13(3,4)17-5/h9-11,15H,6-8H2,1-5H3/t11-/m1/s1
InChIKeyNFJVURWEJFLRRY-LLVKDONJSA-N
XLogP2.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine
CID 43543286
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine
CID 93104190
N-[(2S)-1-methoxypropan-2-yl]-1-propylpyrazol-4-amine
CID 97338513
N-pentan-2-yl-1-propylpyrazol-4-amine
CID 115921377
3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 103024939
1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine
CID 97309859
N-(1-cyclopropylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921375
1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine
CID 97342085
N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921376
N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine
CID 86791923
N-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine
CID 115921396
2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol
CID 115922691

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine?
The IUPAC name of N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine (CID 97338512) is N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine.
What is the SMILES notation for N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine?
The canonical SMILES for N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine is CCCn1cc(N[C@H](C)CC(C)(C)OC)cn1.
What is the InChIKey of N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine?
The InChIKey is NFJVURWEJFLRRY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-7-16-10-12(9-14-16)15-11(2)8-13(3,4)17-5/h9-11,15H,6-8H2,1-5H3/t11-/m1/s1.
What are the key properties of N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine?
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine has a molecular weight of 239.36 g/mol, XLogP of 2.91, 7 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-propylpyrazol-4-amine is sourced from PubChem (CID 97338512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).