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

C25H19ClN4O — CID 46852268

IUPACN-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cccc(CNc2ccnc3c(-c4ccc(Oc5ccccc5)cc4)cnn23)c1
InChIInChI=1S/C25H19ClN4O/c26-20-6-4-5-18(15-20)16-28-24-13-14-27-25-23(17-29-30(24)25)19-9-11-22(12-10-19)31-21-7-2-1-3-8-21/h1-15,17,28H,16H2
InChIKeyYPQOZSORGYJUMV-UHFFFAOYSA-N
MW426.91 g/mol
LogP6.45
Rot. Bonds6

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

N-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 46852268) has the molecular formula C25H19ClN4O and a molecular weight of 426.91 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID46852268
Molecular FormulaC25H19ClN4O
Molecular Weight426.91 g/mol
Exact Mass426.12
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cccc(CNc2ccnc3c(-c4ccc(Oc5ccccc5)cc4)cnn23)c1
InChIInChI=1S/C25H19ClN4O/c26-20-6-4-5-18(15-20)16-28-24-13-14-27-25-23(17-29-30(24)25)19-9-11-22(12-10-19)31-21-7-2-1-3-8-21/h1-15,17,28H,16H2
InChIKeyYPQOZSORGYJUMV-UHFFFAOYSA-N
XLogP6.45
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.91
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 68752804
3-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126474913
3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473838
N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 126472157
3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 68751853
N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126472767
3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68751413
3-naphthalen-2-yl-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126475589
3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine
CID 3850835
3-chloro-N-[[3-(methylsulfonimidoyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 167851556
3-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-7-[(4-methoxyphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628380
3-phenyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4974468

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 46852268) is N-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Clc1cccc(CNc2ccnc3c(-c4ccc(Oc5ccccc5)cc4)cnn23)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YPQOZSORGYJUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O/c26-20-6-4-5-18(15-20)16-28-24-13-14-27-25-23(17-29-30(24)25)19-9-11-22(12-10-19)31-21-7-2-1-3-8-21/h1-15,17,28H,16H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 426.91 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 46852268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).