N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine

C15H22N4O — CID 114649519

IUPACN-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1c(OC)cnn1C
InChIInChI=1S/C15H22N4O/c1-4-7-17-13(9-12-6-5-8-16-10-12)15-14(20-3)11-18-19(15)2/h5-6,8,10-11,13,17H,4,7,9H2,1-3H3
InChIKeyPLAWOLWSOZIQQN-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.11
Rot. Bonds7

About N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine

N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine (PubChem CID 114649519) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine
PubChem CID114649519
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1c(OC)cnn1C
InChIInChI=1S/C15H22N4O/c1-4-7-17-13(9-12-6-5-8-16-10-12)15-14(20-3)11-18-19(15)2/h5-6,8,10-11,13,17H,4,7,9H2,1-3H3
InChIKeyPLAWOLWSOZIQQN-UHFFFAOYSA-N
XLogP2.11
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanamine
CID 114648370
N-[1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 79700355
1-(4-methoxy-1-methylpyrazol-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114657283
1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine
CID 105047055
N-[1-(6-methoxypyridazin-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 103374712
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-propylsulfanylethyl]propan-1-amine
CID 114653618
[1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethyl]hydrazine
CID 105195307
N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 63975598
N-[1-(furan-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 63949988
N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105186345
N-[2-(1,3-dioxolan-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 103547224

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine (CID 114649519) is N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine is CCCNC(Cc1cccnc1)c1c(OC)cnn1C.
What is the InChIKey of N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is PLAWOLWSOZIQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-7-17-13(9-12-6-5-8-16-10-12)15-14(20-3)11-18-19(15)2/h5-6,8,10-11,13,17H,4,7,9H2,1-3H3.
What are the key properties of N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine?
N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 114649519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).