N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine

C22H21N5O2 — CID 55833026

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine
SMILESCOc1cc(CNc2cncc(-n3cccn3)n2)ccc1OCc1ccccc1
InChIInChI=1S/C22H21N5O2/c1-28-20-12-18(8-9-19(20)29-16-17-6-3-2-4-7-17)13-24-21-14-23-15-22(26-21)27-11-5-10-25-27/h2-12,14-15H,13,16H2,1H3,(H,24,26)
InChIKeyBPZSDOFONNDBSN-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.86
Rot. Bonds8

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine (PubChem CID 55833026) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine
PubChem CID55833026
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine
SMILESCOc1cc(CNc2cncc(-n3cccn3)n2)ccc1OCc1ccccc1
InChIInChI=1S/C22H21N5O2/c1-28-20-12-18(8-9-19(20)29-16-17-6-3-2-4-7-17)13-24-21-14-23-15-22(26-21)27-11-5-10-25-27/h2-12,14-15H,13,16H2,1H3,(H,24,26)
InChIKeyBPZSDOFONNDBSN-UHFFFAOYSA-N
XLogP3.86
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969223
N-methyl-2-[4-[[(6-pyrazol-1-ylpyrazin-2-yl)amino]methyl]phenoxy]acetamide
CID 47054790
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-[(4-phenylmethoxyphenoxy)methyl]aniline
CID 50888447
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
CID 3657177
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
CID 2752224
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848825
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
3-methoxy-4-[(4-pyrazol-1-ylphenyl)methoxy]benzonitrile
CID 17499743
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9149311

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine (CID 55833026) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine is COc1cc(CNc2cncc(-n3cccn3)n2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine?
The InChIKey is BPZSDOFONNDBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-28-20-12-18(8-9-19(20)29-16-17-6-3-2-4-7-17)13-24-21-14-23-15-22(26-21)27-11-5-10-25-27/h2-12,14-15H,13,16H2,1H3,(H,24,26).
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine has a molecular weight of 387.44 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine is sourced from PubChem (CID 55833026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).