N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine

C14H20N4O — CID 104696655

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine
SMILESCOc1ccc(NCCCn2nc(C)cc2C)nc1
InChIInChI=1S/C14H20N4O/c1-11-9-12(2)18(17-11)8-4-7-15-14-6-5-13(19-3)10-16-14/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyIDUCJCIGLJJBOS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.41
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine (PubChem CID 104696655) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine
PubChem CID104696655
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine
SMILESCOc1ccc(NCCCn2nc(C)cc2C)nc1
InChIInChI=1S/C14H20N4O/c1-11-9-12(2)18(17-11)8-4-7-15-14-6-5-13(19-3)10-16-14/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyIDUCJCIGLJJBOS-UHFFFAOYSA-N
XLogP2.41
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpyridine-2,5-diamine
CID 114536202
N-[(2-bromo-5-methoxyphenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 115751532
6-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2,3,6-triamine
CID 114536169
N-(6-chlorohexyl)-5-methoxypyridin-2-amine
CID 107846199
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38159279
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 114542225
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-4-carboxylic acid
CID 115576441
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-6-hydrazinyl-5-methoxypyrimidin-4-amine
CID 114542224
N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine
CID 107323439
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19293688
5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 106504113
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 19293707

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine (CID 104696655) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine is COc1ccc(NCCCn2nc(C)cc2C)nc1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine?
The InChIKey is IDUCJCIGLJJBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-9-12(2)18(17-11)8-4-7-15-14-6-5-13(19-3)10-16-14/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine is sourced from PubChem (CID 104696655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).