N-[(4-methoxyphenyl)methyl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine

C19H22N4O — CID 59564783

IUPACN-[(4-methoxyphenyl)methyl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESCOc1ccc(CNc2cc(-c3cn[nH]c3C(C)C)ccn2)cc1
InChIInChI=1S/C19H22N4O/c1-13(2)19-17(12-22-23-19)15-8-9-20-18(10-15)21-11-14-4-6-16(24-3)7-5-14/h4-10,12-13H,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyGTNXOQZPUVTSPA-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.22
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine

N-[(4-methoxyphenyl)methyl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 59564783) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine
PubChem CID59564783
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESCOc1ccc(CNc2cc(-c3cn[nH]c3C(C)C)ccn2)cc1
InChIInChI=1S/C19H22N4O/c1-13(2)19-17(12-22-23-19)15-8-9-20-18(10-15)21-11-14-4-6-16(24-3)7-5-14/h4-10,12-13H,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyGTNXOQZPUVTSPA-UHFFFAOYSA-N
XLogP4.22
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxypropyl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine
CID 59564766
4-(5-propan-2-yl-1H-pyrazol-4-yl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 59564792
N-(1-methylpiperidin-4-yl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine
CID 59564862
N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
CID 118954417
N-[(3E)-3-ethenylhexa-3,5-dien-2-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine
CID 143813419
1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169022
N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170550
2-N-[(4-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883171
N-benzyl-4-methoxypyridin-2-amine
CID 82674350
3-[(4-methoxyphenyl)methylamino]-1H-pyridazine-6-thione
CID 106523217
1-[(3S)-3-[4-[2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]-4-pyridinyl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 125007095
6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868056

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine (CID 59564783) is N-[(4-methoxyphenyl)methyl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine is COc1ccc(CNc2cc(-c3cn[nH]c3C(C)C)ccn2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The InChIKey is GTNXOQZPUVTSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(2)19-17(12-22-23-19)15-8-9-20-18(10-15)21-11-14-4-6-16(24-3)7-5-14/h4-10,12-13H,11H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine?
N-[(4-methoxyphenyl)methyl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 322.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 59564783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).