N-[(4-ethylphenyl)methyl]-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine

C18H22N4O — CID 56919174

IUPACN-[(4-ethylphenyl)methyl]-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1ccc(CN(C)c2cc(COC)nc3ccnn23)cc1
InChIInChI=1S/C18H22N4O/c1-4-14-5-7-15(8-6-14)12-21(2)18-11-16(13-23-3)20-17-9-10-19-22(17)18/h5-11H,4,12-13H2,1-3H3
InChIKeyHWMFIEWUPVSEDI-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.07
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(4-ethylphenyl)methyl]-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56919174) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56919174
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[(4-ethylphenyl)methyl]-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1ccc(CN(C)c2cc(COC)nc3ccnn23)cc1
InChIInChI=1S/C18H22N4O/c1-4-14-5-7-15(8-6-14)12-21(2)18-11-16(13-23-3)20-17-9-10-19-22(17)18/h5-11H,4,12-13H2,1-3H3
InChIKeyHWMFIEWUPVSEDI-UHFFFAOYSA-N
XLogP3.07
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5,6-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4912264
Pyrazolo[1,5-a]-1,3,5-triazine, 13-9
CID 42618215
(2R,3S,5R)-5-(11-methyl-4,7,8,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,6,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127050132
(2R,3S,5R)-5-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)-2-(2,4,5-trifluorophenyl)oxan-3-amine
CID 127051045
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(11-methyl-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-4-yl)oxan-3-amine
CID 127052289
4-(2-Methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 1850847
2-(Methoxymethyl)-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2236969
4-(5-Isopropyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4870355
4-(2,5-Dimethyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4904826
4-(5-Methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4906222
4-(5-Methyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4909114
4-(2,5-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 665375

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56919174) is N-[(4-ethylphenyl)methyl]-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1ccc(CN(C)c2cc(COC)nc3ccnn23)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HWMFIEWUPVSEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-4-14-5-7-15(8-6-14)12-21(2)18-11-16(13-23-3)20-17-9-10-19-22(17)18/h5-11H,4,12-13H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(4-ethylphenyl)methyl]-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 310.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-5-(methoxymethyl)-N-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56919174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).