1-[(4-methoxyphenyl)methyl]-4-(6-methoxy-3-pyridinyl)pyrazol-5-amine

C17H18N4O2 — CID 70925358

IUPAC1-[(4-methoxyphenyl)methyl]-4-(6-methoxy-3-pyridinyl)pyrazol-5-amine
SMILESCOc1ccc(Cn2ncc(-c3ccc(OC)nc3)c2N)cc1
InChIInChI=1S/C17H18N4O2/c1-22-14-6-3-12(4-7-14)11-21-17(18)15(10-20-21)13-5-8-16(23-2)19-9-13/h3-10H,11,18H2,1-2H3
InChIKeyPHLUDHPWMNNGGM-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.59
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-4-(6-methoxy-3-pyridinyl)pyrazol-5-amine

1-[(4-methoxyphenyl)methyl]-4-(6-methoxy-3-pyridinyl)pyrazol-5-amine (PubChem CID 70925358) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-(6-methoxy-3-pyridinyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-(6-methoxy-3-pyridinyl)pyrazol-5-amine
PubChem CID70925358
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-(6-methoxy-3-pyridinyl)pyrazol-5-amine
SMILESCOc1ccc(Cn2ncc(-c3ccc(OC)nc3)c2N)cc1
InChIInChI=1S/C17H18N4O2/c1-22-14-6-3-12(4-7-14)11-21-17(18)15(10-20-21)13-5-8-16(23-2)19-9-13/h3-10H,11,18H2,1-2H3
InChIKeyPHLUDHPWMNNGGM-UHFFFAOYSA-N
XLogP2.59
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-(6-methoxy-3-pyridinyl)pyrazol-5-amine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-(6-methoxy-3-pyridinyl)pyrazol-5-amine (CID 70925358) is 1-[(4-methoxyphenyl)methyl]-4-(6-methoxy-3-pyridinyl)pyrazol-5-amine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-(6-methoxy-3-pyridinyl)pyrazol-5-amine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-(6-methoxy-3-pyridinyl)pyrazol-5-amine is COc1ccc(Cn2ncc(-c3ccc(OC)nc3)c2N)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-(6-methoxy-3-pyridinyl)pyrazol-5-amine?
The InChIKey is PHLUDHPWMNNGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-22-14-6-3-12(4-7-14)11-21-17(18)15(10-20-21)13-5-8-16(23-2)19-9-13/h3-10H,11,18H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-(6-methoxy-3-pyridinyl)pyrazol-5-amine?
1-[(4-methoxyphenyl)methyl]-4-(6-methoxy-3-pyridinyl)pyrazol-5-amine has a molecular weight of 310.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-(6-methoxy-3-pyridinyl)pyrazol-5-amine is sourced from PubChem (CID 70925358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).