5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine

C12H16N4O — CID 114608538

IUPAC5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine
SMILESCC(C)n1cc(OCc2ccc(N)nc2)cn1
InChIInChI=1S/C12H16N4O/c1-9(2)16-7-11(6-15-16)17-8-10-3-4-12(13)14-5-10/h3-7,9H,8H2,1-2H3,(H2,13,14)
InChIKeyBEOCSTZZYJWQSQ-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.02
Rot. Bonds4

About 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine

5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine (PubChem CID 114608538) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine
PubChem CID114608538
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine
SMILESCC(C)n1cc(OCc2ccc(N)nc2)cn1
InChIInChI=1S/C12H16N4O/c1-9(2)16-7-11(6-15-16)17-8-10-3-4-12(13)14-5-10/h3-7,9H,8H2,1-2H3,(H2,13,14)
InChIKeyBEOCSTZZYJWQSQ-UHFFFAOYSA-N
XLogP2.02
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805404
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805220
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide
CID 116804127
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
[2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-yl]methanamine
CID 116802334
6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-amine
CID 116805850
2-methyl-6-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridine
CID 116805488
4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
CID 116805200
3-fluoro-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]benzonitrile
CID 116805277
1-methyl-2-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]imidazole
CID 116805369
N,N-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116805301

Frequently Asked Questions

What is the IUPAC name of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine?
The IUPAC name of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine (CID 114608538) is 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine.
What is the SMILES notation for 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine?
The canonical SMILES for 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine is CC(C)n1cc(OCc2ccc(N)nc2)cn1.
What is the InChIKey of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine?
The InChIKey is BEOCSTZZYJWQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(2)16-7-11(6-15-16)17-8-10-3-4-12(13)14-5-10/h3-7,9H,8H2,1-2H3,(H2,13,14).
What are the key properties of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine?
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine has a molecular weight of 232.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]pyridin-2-amine is sourced from PubChem (CID 114608538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).