N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C20H22N6O — CID 56881517

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(CN(C)c2cc(-c3ccccc3)nc3cc(C)nn23)[nH]n1
InChIInChI=1S/C20H22N6O/c1-14-9-19-21-18(15-7-5-4-6-8-15)11-20(26(19)24-14)25(2)12-16-10-17(13-27-3)23-22-16/h4-11H,12-13H2,1-3H3,(H,22,23)
InChIKeyHORSNMLMHAUKKY-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.21
Rot. Bonds6

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56881517) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56881517
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1cc(CN(C)c2cc(-c3ccccc3)nc3cc(C)nn23)[nH]n1
InChIInChI=1S/C20H22N6O/c1-14-9-19-21-18(15-7-5-4-6-8-15)11-20(26(19)24-14)25(2)12-16-10-17(13-27-3)23-22-16/h4-11H,12-13H2,1-3H3,(H,22,23)
InChIKeyHORSNMLMHAUKKY-UHFFFAOYSA-N
XLogP3.21
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56881517) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is COCc1cc(CN(C)c2cc(-c3ccccc3)nc3cc(C)nn23)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HORSNMLMHAUKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-9-19-21-18(15-7-5-4-6-8-15)11-20(26(19)24-14)25(2)12-16-10-17(13-27-3)23-22-16/h4-11H,12-13H2,1-3H3,(H,22,23).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 362.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,2-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56881517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).