[5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine

C12H15ClN4O — CID 116803066

IUPAC[5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine
SMILESCC(C)n1cc(Oc2ncc(CN)cc2Cl)cn1
InChIInChI=1S/C12H15ClN4O/c1-8(2)17-7-10(6-16-17)18-12-11(13)3-9(4-14)5-15-12/h3,5-8H,4,14H2,1-2H3
InChIKeyQEHOOSMTOXXHCZ-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.76
Rot. Bonds4

About [5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine

[5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine (PubChem CID 116803066) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is [5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine
PubChem CID116803066
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name[5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine
SMILESCC(C)n1cc(Oc2ncc(CN)cc2Cl)cn1
InChIInChI=1S/C12H15ClN4O/c1-8(2)17-7-10(6-16-17)18-12-11(13)3-9(4-14)5-15-12/h3,5-8H,4,14H2,1-2H3
InChIKeyQEHOOSMTOXXHCZ-UHFFFAOYSA-N
XLogP2.76
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-yl]methanamine
CID 116802334
[5-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 114929125
[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanamine
CID 116800206
3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine
CID 102988441
[5-chloro-6-(3-chlorophenoxy)-3-pyridinyl]methanamine
CID 62321461
2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine
CID 167429894
1-[3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine
CID 116804291
3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxy-1,2,5-thiadiazole
CID 116801122
3,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)oxypyridazine
CID 116801133
5-methoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116806629
4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine
CID 116800587
2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116804257

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine?
The IUPAC name of [5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine (CID 116803066) is [5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine.
What is the SMILES notation for [5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine?
The canonical SMILES for [5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine is CC(C)n1cc(Oc2ncc(CN)cc2Cl)cn1.
What is the InChIKey of [5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine?
The InChIKey is QEHOOSMTOXXHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-8(2)17-7-10(6-16-17)18-12-11(13)3-9(4-14)5-15-12/h3,5-8H,4,14H2,1-2H3.
What are the key properties of [5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine?
[5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine has a molecular weight of 266.73 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine is sourced from PubChem (CID 116803066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).