N-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine

C15H21ClN4O — CID 116803000

IUPACN-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
SMILESCCCn1cc(Oc2ccc(Cl)c(CNC(C)C)n2)cn1
InChIInChI=1S/C15H21ClN4O/c1-4-7-20-10-12(8-18-20)21-15-6-5-13(16)14(19-15)9-17-11(2)3/h5-6,8,10-11,17H,4,7,9H2,1-3H3
InChIKeyVLBAUBMDNKBSDU-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.63
Rot. Bonds7

About N-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine

N-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine (PubChem CID 116803000) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
PubChem CID116803000
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC NameN-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
SMILESCCCn1cc(Oc2ccc(Cl)c(CNC(C)C)n2)cn1
InChIInChI=1S/C15H21ClN4O/c1-4-7-20-10-12(8-18-20)21-15-6-5-13(16)14(19-15)9-17-11(2)3/h5-6,8,10-11,17H,4,7,9H2,1-3H3
InChIKeyVLBAUBMDNKBSDU-UHFFFAOYSA-N
XLogP3.63
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 116802934
N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802269
N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
CID 62321632
N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802309
N-[[1,3-dimethyl-5-(1-propylpyrazol-4-yl)oxypyrazol-4-yl]methyl]propan-2-amine
CID 116802238
3-chloro-2-(chloromethyl)-6-(1-methylpyrazol-4-yl)oxypyridine
CID 116793288
N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 116802957
N-[[6-(1-propylpyrazol-4-yl)oxypyrazin-2-yl]methyl]ethanamine
CID 116802960
N-ethyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116806326
N-[[3-chloro-4-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802209
N-propyl-4-(1-propylpyrazol-4-yl)oxypyrimidin-2-amine
CID 116806272
N-[[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 66275955

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine (CID 116803000) is N-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine is CCCn1cc(Oc2ccc(Cl)c(CNC(C)C)n2)cn1.
What is the InChIKey of N-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is VLBAUBMDNKBSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-4-7-20-10-12(8-18-20)21-15-6-5-13(16)14(19-15)9-17-11(2)3/h5-6,8,10-11,17H,4,7,9H2,1-3H3.
What are the key properties of N-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine?
N-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 308.81 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 116803000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).