4-(propan-2-yloxymethyl)-1H-pyrazol-5-amine

C7H13N3O — CID 105430332

IUPAC4-(propan-2-yloxymethyl)-1H-pyrazol-5-amine
SMILESCC(C)OCc1cn[nH]c1N
InChIInChI=1S/C7H13N3O/c1-5(2)11-4-6-3-9-10-7(6)8/h3,5H,4H2,1-2H3,(H3,8,9,10)
InChIKeyYYYQLSORHHDOCZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.92
Rot. Bonds3

About 4-(propan-2-yloxymethyl)-1H-pyrazol-5-amine

4-(propan-2-yloxymethyl)-1H-pyrazol-5-amine (PubChem CID 105430332) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-(propan-2-yloxymethyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(propan-2-yloxymethyl)-1H-pyrazol-5-amine
PubChem CID105430332
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name4-(propan-2-yloxymethyl)-1H-pyrazol-5-amine
SMILESCC(C)OCc1cn[nH]c1N
InChIInChI=1S/C7H13N3O/c1-5(2)11-4-6-3-9-10-7(6)8/h3,5H,4H2,1-2H3,(H3,8,9,10)
InChIKeyYYYQLSORHHDOCZ-UHFFFAOYSA-N
XLogP0.92
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylperoxymethyl)-1H-pyrazol-5-amine
CID 23541184
4-(ethylperoxymethyl)-1H-pyrazol-5-amine;molecular hydrogen
CID 160762404
4-(propan-2-yloxymethyl)-1,2-oxazol-5-amine
CID 105430512
N-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide
CID 79530915
4-[2-(dimethylamino)ethyl]-1H-pyrazol-5-amine
CID 68573940
4-(ethylsulfanylmethyl)-1H-pyrazol-5-amine
CID 117216560
4-methyl-3-(propan-2-yloxymethyl)pyridine
CID 58759917
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4,4-trimethylpentanamide
CID 79531018
2-(5-amino-1H-pyrazol-4-yl)ethyl acetate;hydrochloride
CID 162254126
N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide
CID 79530165
N-(4-ethyl-1H-pyrazol-5-yl)-2-propan-2-yloxyacetamide
CID 115692319
4-N,4-N-di(propan-2-yl)-1H-pyrazole-4,5-diamine
CID 140543332

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-yloxymethyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(propan-2-yloxymethyl)-1H-pyrazol-5-amine (CID 105430332) is 4-(propan-2-yloxymethyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(propan-2-yloxymethyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(propan-2-yloxymethyl)-1H-pyrazol-5-amine is CC(C)OCc1cn[nH]c1N.
What is the InChIKey of 4-(propan-2-yloxymethyl)-1H-pyrazol-5-amine?
The InChIKey is YYYQLSORHHDOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(2)11-4-6-3-9-10-7(6)8/h3,5H,4H2,1-2H3,(H3,8,9,10).
What are the key properties of 4-(propan-2-yloxymethyl)-1H-pyrazol-5-amine?
4-(propan-2-yloxymethyl)-1H-pyrazol-5-amine has a molecular weight of 155.20 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-yloxymethyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 105430332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).