3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C22H22N4O3 — CID 126474913

IUPAC3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc(CNc2ccnc3c(-c4ccccc4)cnn23)cc(OC)c1OC
InChIInChI=1S/C22H22N4O3/c1-27-18-11-15(12-19(28-2)21(18)29-3)13-24-20-9-10-23-22-17(14-25-26(20)22)16-7-5-4-6-8-16/h4-12,14,24H,13H2,1-3H3
InChIKeyDQQHHDNEXAJULL-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.03
Rot. Bonds7

About 3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 126474913) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID126474913
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1cc(CNc2ccnc3c(-c4ccccc4)cnn23)cc(OC)c1OC
InChIInChI=1S/C22H22N4O3/c1-27-18-11-15(12-19(28-2)21(18)29-3)13-24-20-9-10-23-22-17(14-25-26(20)22)16-7-5-4-6-8-16/h4-12,14,24H,13H2,1-3H3
InChIKeyDQQHHDNEXAJULL-UHFFFAOYSA-N
XLogP4.03
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126472767
N-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 141119651
3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473838
N-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46852268
7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine
CID 56737889
N-[(4-fluorophenyl)methyl]-3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126472232
N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 68752804
3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68751413
1-methyl-5-(4-phenylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-amine
CID 4268293
3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 68751853
N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 868190
2-(4-methylphenyl)-5-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 1441414

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 126474913) is 3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is COc1cc(CNc2ccnc3c(-c4ccccc4)cnn23)cc(OC)c1OC.
What is the InChIKey of 3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DQQHHDNEXAJULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-27-18-11-15(12-19(28-2)21(18)29-3)13-24-20-9-10-23-22-17(14-25-26(20)22)16-7-5-4-6-8-16/h4-12,14,24H,13H2,1-3H3.
What are the key properties of 3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 390.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 126474913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).