N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine

C21H26N4O — CID 47052525

IUPACN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCc1cc(C)n(-c2ccc(CNCc3ccc(OC(C)C)cc3)cn2)n1
InChIInChI=1S/C21H26N4O/c1-15(2)26-20-8-5-18(6-9-20)12-22-13-19-7-10-21(23-14-19)25-17(4)11-16(3)24-25/h5-11,14-15,22H,12-13H2,1-4H3
InChIKeyPKXJWSNLHIYONW-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.96
Rot. Bonds7

About N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 47052525) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID47052525
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCc1cc(C)n(-c2ccc(CNCc3ccc(OC(C)C)cc3)cn2)n1
InChIInChI=1S/C21H26N4O/c1-15(2)26-20-8-5-18(6-9-20)12-22-13-19-7-10-21(23-14-19)25-17(4)11-16(3)24-25/h5-11,14-15,22H,12-13H2,1-4H3
InChIKeyPKXJWSNLHIYONW-UHFFFAOYSA-N
XLogP3.96
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine with MolForge

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Related Compounds

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N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
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7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
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5-(4-Methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
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7-(4-Phenoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
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Ibtrozi
CID 154699459
1-(4-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine (CID 47052525) is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine is Cc1cc(C)n(-c2ccc(CNCc3ccc(OC(C)C)cc3)cn2)n1.
What is the InChIKey of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is PKXJWSNLHIYONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15(2)26-20-8-5-18(6-9-20)12-22-13-19-7-10-21(23-14-19)25-17(4)11-16(3)24-25/h5-11,14-15,22H,12-13H2,1-4H3.
What are the key properties of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 350.47 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 47052525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).