N-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine

C16H22N4O — CID 116803040

IUPACN-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2cnn(C(C)C)c2)c(CNC2CC2)cn1
InChIInChI=1S/C16H22N4O/c1-11(2)20-10-15(9-19-20)21-16-6-12(3)17-7-13(16)8-18-14-4-5-14/h6-7,9-11,14,18H,4-5,8H2,1-3H3
InChIKeySCDDRZVGAGKRQJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.21
Rot. Bonds6

About N-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine

N-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 116803040) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine
PubChem CID116803040
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(Oc2cnn(C(C)C)c2)c(CNC2CC2)cn1
InChIInChI=1S/C16H22N4O/c1-11(2)20-10-15(9-19-20)21-16-6-12(3)17-7-13(16)8-18-14-4-5-14/h6-7,9-11,14,18H,4-5,8H2,1-3H3
InChIKeySCDDRZVGAGKRQJ-UHFFFAOYSA-N
XLogP3.21
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 116802340
N-[[4-(4-chlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81251064
N-[[4-(4-bromophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81250499
N-[[4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 116802391
N-[[3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 105391780
N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 106533566
N-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 103285460
N-[[4-(2,5-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254386
N-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 116793446
N-[[4-(2,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254061
N-[[4-(2,5-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254374
N-[[6-methyl-4-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81253556

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine (CID 116803040) is N-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(Oc2cnn(C(C)C)c2)c(CNC2CC2)cn1.
What is the InChIKey of N-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is SCDDRZVGAGKRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)20-10-15(9-19-20)21-16-6-12(3)17-7-13(16)8-18-14-4-5-14/h6-7,9-11,14,18H,4-5,8H2,1-3H3.
What are the key properties of N-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 286.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 116803040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).