N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine

C13H15ClN4O — CID 114929107

IUPACN-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
SMILESCn1cc(Oc2cc(CNC3CC3)c(Cl)cn2)cn1
InChIInChI=1S/C13H15ClN4O/c1-18-8-11(6-17-18)19-13-4-9(12(14)7-16-13)5-15-10-2-3-10/h4,6-8,10,15H,2-3,5H2,1H3
InChIKeyRWRJMLLKRXVLRV-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.51
Rot. Bonds5

About N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine

N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 114929107) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
PubChem CID114929107
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC NameN-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
SMILESCn1cc(Oc2cc(CNC3CC3)c(Cl)cn2)cn1
InChIInChI=1S/C13H15ClN4O/c1-18-8-11(6-17-18)19-13-4-9(12(14)7-16-13)5-15-10-2-3-10/h4,6-8,10,15H,2-3,5H2,1H3
InChIKeyRWRJMLLKRXVLRV-UHFFFAOYSA-N
XLogP2.51
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3-bromo-4-fluorophenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
CID 114929049
N-[[5-chloro-2-(3-methylbutan-2-yloxy)-4-pyridinyl]methyl]cyclopropanamine
CID 114928915
1-[5-chloro-2-(1-ethylpyrazol-4-yl)oxy-4-pyridinyl]-N-methylmethanamine
CID 114929109
N-[[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
CID 107285698
N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 114927655
N-[[2-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methyl]cyclopropanamine
CID 116793588
2-chloro-5-(1-methylpyrazol-4-yl)oxypyrazine
CID 130826945
N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 114924960
N-[[3-bromo-4-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]cyclopropanamine
CID 102774105
N-[[5-chloro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 114928565
N-[[5-chloro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 114927604
[5-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 114929125

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine (CID 114929107) is N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine is Cn1cc(Oc2cc(CNC3CC3)c(Cl)cn2)cn1.
What is the InChIKey of N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is RWRJMLLKRXVLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-18-8-11(6-17-18)19-13-4-9(12(14)7-16-13)5-15-10-2-3-10/h4,6-8,10,15H,2-3,5H2,1H3.
What are the key properties of N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 278.74 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 114929107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).