N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine

C23H25N5O — CID 28735022

IUPACN-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2CN(C)CCc2cn[nH]c2)c1
InChIInChI=1S/C23H25N5O/c1-27(12-11-18-14-24-25-15-18)16-20-17-28(21-8-4-3-5-9-21)26-23(20)19-7-6-10-22(13-19)29-2/h3-10,13-15,17H,11-12,16H2,1-2H3,(H,24,25)
InChIKeyHAENZBNUOAHNMV-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.95
Rot. Bonds8

About N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine

N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine (PubChem CID 28735022) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine
PubChem CID28735022
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2CN(C)CCc2cn[nH]c2)c1
InChIInChI=1S/C23H25N5O/c1-27(12-11-18-14-24-25-15-18)16-20-17-28(21-8-4-3-5-9-21)26-23(20)19-7-6-10-22(13-19)29-2/h3-10,13-15,17H,11-12,16H2,1-2H3,(H,24,25)
InChIKeyHAENZBNUOAHNMV-UHFFFAOYSA-N
XLogP3.95
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68517263
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CID 2812599
1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 16191714
2-[3-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11558948
2-(4-(2-(4-(dimethylamino)phenyl)pyridin-4-yl)-5-(3-methoxy-5-methylphenyl)-1H-pyrazol-1-yl)acetonitrile
CID 45482631
2-[4-[2-[4-(Dimethylamino)phenyl]-4-pyridinyl]-3-(3-methoxy-5-methylphenyl)pyrazol-1-yl]acetonitrile
CID 45483003
1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]-1-(3-pyrrolidin-1-ylpropyl)urea
CID 68563892
3-[(3-methoxyphenyl)methyl]-1-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68566340
1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]-1-(2-pyrrolidin-1-ylethyl)urea
CID 68567556
1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209864
1-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 118239096
2-amino-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]oxy]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine?
The IUPAC name of N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine (CID 28735022) is N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine is COc1cccc(-c2nn(-c3ccccc3)cc2CN(C)CCc2cn[nH]c2)c1.
What is the InChIKey of N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine?
The InChIKey is HAENZBNUOAHNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-27(12-11-18-14-24-25-15-18)16-20-17-28(21-8-4-3-5-9-21)26-23(20)19-7-6-10-22(13-19)29-2/h3-10,13-15,17H,11-12,16H2,1-2H3,(H,24,25).
What are the key properties of N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine?
N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine has a molecular weight of 387.49 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 28735022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).