N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine

C13H18N4O — CID 116793338

IUPACN-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(Oc2cnn(C)c2)c1
InChIInChI=1S/C13H18N4O/c1-10(2)15-7-11-4-5-14-13(6-11)18-12-8-16-17(3)9-12/h4-6,8-10,15H,7H2,1-3H3
InChIKeyIYYQEYUOYCLMHN-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.11
Rot. Bonds5

About N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine

N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine (PubChem CID 116793338) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine
PubChem CID116793338
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(Oc2cnn(C)c2)c1
InChIInChI=1S/C13H18N4O/c1-10(2)15-7-11-4-5-14-13(6-11)18-12-8-16-17(3)9-12/h4-6,8-10,15H,7H2,1-3H3
InChIKeyIYYQEYUOYCLMHN-UHFFFAOYSA-N
XLogP2.11
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116793098
N-[[2-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 62288406
N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62297313
N-methyl-1-[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methanamine
CID 116803068
N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62321474
N-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62296745
N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-1-amine
CID 116803088
N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine
CID 63985993
N-[[6-[(1-methylpyrazol-4-yl)oxymethyl]-3-pyridinyl]methyl]propan-2-amine
CID 116793594
N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999603
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62289751
2-(1-methylpyrazol-4-yl)oxypyridine-4-carbonitrile
CID 116792720

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine (CID 116793338) is N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccnc(Oc2cnn(C)c2)c1.
What is the InChIKey of N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is IYYQEYUOYCLMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(2)15-7-11-4-5-14-13(6-11)18-12-8-16-17(3)9-12/h4-6,8-10,15H,7H2,1-3H3.
What are the key properties of N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine?
N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 246.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 116793338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).